MPC-3100

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25BrN6O4S
Molecular Weight	549.441
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](O)C(=O)N1CCC(CCN2C(SC3=C(Br)C=C4OCOC4=C3)=NC5=C(N)N=CN=C25)CC1

InChI

InChIKey=CVBWTNHDKVVFMI-LBPRGKRZSA-N

InChI=1S/C22H25BrN6O4S/c1-12(30)21(31)28-5-2-13(3-6-28)4-7-29-20-18(19(24)25-10-26-20)27-22(29)34-17-9-16-15(8-14(17)23)32-11-33-16/h8-10,12-13,30H,2-7,11H2,1H3,(H2,24,25,26)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25BrN6O4S
Molecular Weight	549.441
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 `Sat Dec 16 10:03:24 UTC 2023` Edited by `admin` on `Sat Dec 16 10:03:24 UTC 2023`
Record UNII	9UMA2EEO9Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MPC-3100

Code

English

1-PROPANONE, 1-(4-(2-(6-AMINO-8-((6-BROMO-1,3-BENZODIOXOL-5-YL)THIO)-9H-PURIN-9-YL)ETHYL)-1-PIPERIDINYL)-2-HYDROXY-, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9UMA2EEO9Q