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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(3-phenylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-[4-(3-phenylpropyl)piperazino]xanthine Formula: C26H29ClN6O2 MolecularWeight: 493.00046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCCC4=CC=CC=C4)CC5=CC=CC=C5Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCCC4=CC=CC=C4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C26H29ClN6O2/c1-30-23-22(24(34)29-26(30)35)33(18-20-11-5-6-12-21(20)27)25(28-23)32-16-14-31(15-17-32)13-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12H,7,10,13-18H2,1H3,(H,29,34,35)