2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-nitro-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(5-nitrothiazol-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(5-nitrothiazol-2-yl)acetamide Formula: C12H11N7O5S MolecularWeight: 365.32464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7O5S/c1-16-9-8(10(21)17(2)12(16)22)18(5-14-9)4-6(20)15-11-13-3-7(25-11)19(23)24/h3,5H,4H2,1-2H3,(H,13,15,20)