4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-2-((1,5-DIHYDROXYPENTAN-2-YL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28ClN7O4
Molecular Weight	501.966
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-2-((1,5-DIHYDROXYPENTAN-2-YL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Structure Search

SMILES

COC1=C(Cl)C=C(CNC2=NC(N[C@H](CO)CCCO)=NC=C2C(=O)NCC3=NC=CC=N3)C=C1

InChI

InChIKey=GJXOLGDYNFWJEE-INIZCTEOSA-N

InChI=1S/C23H28ClN7O4/c1-35-19-6-5-15(10-18(19)24)11-27-21-17(22(34)28-13-20-25-7-3-8-26-20)12-29-23(31-21)30-16(14-33)4-2-9-32/h3,5-8,10,12,16,32-33H,2,4,9,11,13-14H2,1H3,(H,28,34)(H2,27,29,30,31)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28ClN7O4
Molecular Weight	501.966
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:56:16 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:16 GMT 2025`
Record UNII	QJX5BY5W4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-2-((1,5-DIHYDROXYPENTAN-2-YL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Systematic Name

English

AVANAFIL METABOLITE M22

Preferred Name

English

Code System Code Type Description

FDA UNII

QJX5BY5W4P

Created by admin on Mon Mar 31 22:56:16 GMT 2025 , Edited by admin on Mon Mar 31 22:56:16 GMT 2025

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PUBCHEM

156613505

Created by admin on Mon Mar 31 22:56:16 GMT 2025 , Edited by admin on Mon Mar 31 22:56:16 GMT 2025

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