N-(2-methyl-4-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12N6O3S/c1-8-4-9(20(22)23)2-3-10(8)19-11(21)5-24-14-12-13(16-6-15-12)17-7-18-14/h2-4,6-7H,5H2,1H3,(H,19,21)(H,15,16,17,18)