PKI-402

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H34N10O3
Molecular Weight	570.6455
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1N=NC2=C(N=C(N=C12)C3=CC=C(NC(=O)NC4=CC=C(C=C4)C(=O)N5CCN(C)CC5)C=C3)N6CCOCC6

InChI

InChIKey=ZAXFYGBKZSQBIV-UHFFFAOYSA-N

InChI=1S/C29H34N10O3/c1-3-39-27-24(34-35-39)26(37-16-18-42-19-17-37)32-25(33-27)20-4-8-22(9-5-20)30-29(41)31-23-10-6-21(7-11-23)28(40)38-14-12-36(2)13-15-38/h4-11H,3,12-19H2,1-2H3,(H2,30,31,41)

HIDE SMILES / InChI

Molecular Formula	C29H34N10O3
Molecular Weight	570.6455
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:45:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:45:16 UTC 2023`
Record UNII	A5XSH56P2N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PKI-402

Code

English

UREA, N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)-

Systematic Name

English

PKI402

Code

English

N-(4-(3-ETHYL-7-(4-MORPHOLINYL)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-N'-(4-((4-METHYL-1-PIPERAZINYL)CARBONYL)PHENYL)UREA

Systematic Name

English

1-(4-(3-ETHYL-7-(MORPHOLIN-4-YL)-3H-(1,2,3)TRIAZOLO(4,5-D)PYRIMIDIN-5-YL)PHENYL)-3-(4-((4-METHYLPIPERAZIN-1-YL)CARBONYL)PHENYL)UREA

Systematic Name

English

Code System Code Type Description

PUBCHEM

44187953

Created by admin on Sat Dec 16 09:45:16 UTC 2023 , Edited by admin on Sat Dec 16 09:45:16 UTC 2023

PRIMARY

EPA CompTox

DTXSID30657809

Created by admin on Sat Dec 16 09:45:16 UTC 2023 , Edited by admin on Sat Dec 16 09:45:16 UTC 2023

PRIMARY

FDA UNII

A5XSH56P2N

Created by admin on Sat Dec 16 09:45:16 UTC 2023 , Edited by admin on Sat Dec 16 09:45:16 UTC 2023

PRIMARY

CAS

1173204-81-3

Created by admin on Sat Dec 16 09:45:16 UTC 2023 , Edited by admin on Sat Dec 16 09:45:16 UTC 2023

PRIMARY

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