2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C15H14N6O5S MolecularWeight: 390.37386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O5S/c1-19-12-11(13(23)20(2)15(19)24)17-14(18-12)27-7-10(22)16-8-5-3-4-6-9(8)21(25)26/h3-6H,7H2,1-2H3,(H,16,22)(H,17,18)