1,3-dimethyl-8-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(4-methylbenzoyl)piperazin-1-yl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[4-(4-methylbenzoyl)piperazin-1-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-p-toluoylpiperazino)-7H-purine-2,6-quinone Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-12-4-6-13(7-5-12)16(26)24-8-10-25(11-9-24)18-20-14-15(21-18)22(2)19(28)23(3)17(14)27/h4-7H,8-11H2,1-3H3,(H,20,21)