2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H13N7O5S MolecularWeight: 415.38332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O5S/c1-20-13-12(14(25)21(2)16(20)26)22(7-17-13)6-11(24)19-15-18-9-4-3-8(23(27)28)5-10(9)29-15/h3-5,7H,6H2,1-2H3,(H,18,19,24)