2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(4-phenylthiazol-2-yl)acetamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O3S/c1-22-10-19-15-14(22)16(26)24(18(27)23(15)2)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21,25)