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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N6O6/c1-21-14-13(15(25)22(2)17(21)27)23(7-18-14)6-12(24)20-16(26)19-9-3-4-10-11(5-9)29-8-28-10/h3-5,7H,6,8H2,1-2H3,(H2,19,20,24,26)