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

Systemtic Name: 1,3-dimethyl-7-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-[4-(o-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-[4-(2-methylbenzyl)piperazino]butyl]-1,3-dimethyl-xanthine Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H30N6O3/c1-17-7-4-5-8-18(17)15-27-11-13-28(14-12-27)19(30)9-6-10-29-16-24-21-20(29)22(31)26(3)23(32)25(21)2/h4-5,7-8,16H,6,9-15H2,1-3H3