N-[(E)-(3-nitrophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[(E)-(3-nitrobenzylidene)amino]-2-(7H-purin-6-ylthio)acetamide Formula: C14H11N7O3S MolecularWeight: 357.34724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N7O3S/c22-11(6-25-14-12-13(16-7-15-12)17-8-18-14)20-19-5-9-2-1-3-10(4-9)21(23)24/h1-5,7-8H,6H2,(H,20,22)(H,15,16,17,18)/b19-5+