6-S-(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)-6-THIOGUANOSINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H16N8O6S
Molecular Weight	424.392
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-S-(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)-6-THIOGUANOSINE

Structure Search

SMILES

CN1C=NC(=C1SC2=NC(N)=NC3=C2N=CN3[C@H]4O[C@@H](CO)[C@H](O)[C@@H]4O)[N+]([O-])=O

InChI

InChIKey=WJPLSTABBCGIQS-GVTXSBRZSA-N

InChI=1S/C14H16N8O6S/c1-20-3-17-10(22(26)27)13(20)29-11-6-9(18-14(15)19-11)21(4-16-6)12-8(25)7(24)5(2-23)28-12/h3-5,7-8,12,23-25H,2H2,1H3,(H2,15,18,19)/t5-,7-,8-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H16N8O6S
Molecular Weight	424.392
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:58:03 GMT 2025` Edited by `admin` on `Tue Apr 01 19:58:03 GMT 2025`
Record UNII	KKA9W8EGK5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-40665

Preferred Name

English

6-S-(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)-6-THIOGUANOSINE

Systematic Name

English

9H-PURINE, 2-AMINO-6-(1-METHYL-4-NITROIMIDAZOL-5-YLTHIO)-9-.

Systematic Name

English

9H-PURIN-2-AMINE, (6-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-9-BETA-D-RIBOFURANOS) YL-

Common Name

English

Code System Code Type Description

NSC

40665