8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C27H32N6O5 MolecularWeight: 520.58018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C27H32N6O5/c1-18-5-4-6-22(15-18)38-17-20(34)16-33-23-24(30(2)27(36)29-25(23)35)28-26(33)32-13-11-31(12-14-32)19-7-9-21(37-3)10-8-19/h4-10,15,20,34H,11-14,16-17H2,1-3H3,(H,29,35,36)