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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5

InChI

InChI=1S/C26H29ClN6O2/c1-29-23-22(24(34)30(2)26(29)35)33(13-7-10-19-8-4-3-5-9-19)25(28-23)32-16-14-31(15-17-32)21-12-6-11-20(27)18-21/h3-6,8-9,11-12,18H,7,10,13-17H2,1-2H3