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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(p-tolyl)thiazol-2-yl]butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(4-methylphenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(p-tolyl)thiazol-2-yl]butyramide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H22N6O3S/c1-13-6-8-14(9-7-13)15-11-31-20(23-15)24-16(28)5-4-10-27-12-22-18-17(27)19(29)26(3)21(30)25(18)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24,28)