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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCC5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H30N6O4/c1-29-23-22(24(33)28-26(29)34)32(13-12-18-4-8-20(35-2)9-5-18)25(27-23)31-16-14-30(15-17-31)19-6-10-21(36-3)11-7-19/h4-11H,12-17H2,1-3H3,(H,28,33,34)