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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-phenacyl-xanthine Formula: C25H26N6O4 MolecularWeight: 474.51174

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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)CC(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O4/c1-28-22-21(23(33)27-25(28)34)31(16-20(32)17-6-4-3-5-7-17)24(26-22)30-14-12-29(13-15-30)18-8-10-19(35-2)11-9-18/h3-11H,12-16H2,1-2H3,(H,27,33,34)