3,7-dimethyl-1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]-3,7-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H24N6O3/c1-14-6-4-5-7-15(14)24-8-10-25(11-9-24)16(27)12-26-19(28)17-18(21-13-22(17)2)23(3)20(26)29/h4-7,13H,8-12H2,1-3H3