4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(4-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-(4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N-(p-tolyl)piperazine-1-carboxamide Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H23N7O3/c1-12-4-6-13(7-5-12)20-18(28)26-10-8-25(9-11-26)17-21-14-15(22-17)23(2)19(29)24(3)16(14)27/h4-7H,8-11H2,1-3H3,(H,20,28)(H,21,22)