3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[4-(m-tolylmethyl)piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-[4-(3-methylbenzyl)piperazino]-7-(3-phenylpropyl)xanthine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C27H32N6O2/c1-20-8-6-11-22(18-20)19-31-14-16-32(17-15-31)26-28-24-23(25(34)29-27(35)30(24)2)33(26)13-7-12-21-9-4-3-5-10-21/h3-6,8-11,18H,7,12-17,19H2,1-2H3,(H,29,34,35)