CI-972 FREE BASE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11N5OS
Molecular Weight	261.303
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C(CC2=CSC=C2)C3=C(N1)C(=O)NC(N)=N3

InChI

InChIKey=QQMYLWYFXGDKRG-UHFFFAOYSA-N

InChI=1S/C11H11N5OS/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7/h1-2,4,14H,3,12H2,(H3,13,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C11H11N5OS
Molecular Weight	261.303
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 `Tue Apr 01 21:11:21 GMT 2025` Edited by `admin` on `Tue Apr 01 21:11:21 GMT 2025`
Record UNII	M6NDM5VBB0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CI-972 FREE BASE

Code

English

2,6-DIAMINO-3,5-DIHYDRO-7-(3-THIENYLMETHYL)-4H-PYRROLO(3,2-D)PYRIMIDIN-4-ONE

Preferred Name

English

4H-PYRROLO(3,2-D)PYRIMIDIN-4-ONE, 2,6-DIAMINO-3,5-DIHYDRO-7-(3-THIENYLMETHYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID501025280

Created by admin on Tue Apr 01 21:11:21 GMT 2025 , Edited by admin on Tue Apr 01 21:11:21 GMT 2025

PRIMARY

PUBCHEM

135418361

Created by admin on Tue Apr 01 21:11:21 GMT 2025 , Edited by admin on Tue Apr 01 21:11:21 GMT 2025

PRIMARY

CAS

115787-59-2

Created by admin on Tue Apr 01 21:11:21 GMT 2025 , Edited by admin on Tue Apr 01 21:11:21 GMT 2025

PRIMARY

FDA UNII

M6NDM5VBB0

Created by admin on Tue Apr 01 21:11:21 GMT 2025 , Edited by admin on Tue Apr 01 21:11:21 GMT 2025

PRIMARY

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