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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 7-(2-hydroxypropyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxypropyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxypropyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxypropyl)-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C20H26N6O4/c1-13(27)12-26-16-17(23(2)20(29)22-18(16)28)21-19(26)25-10-8-24(9-11-25)14-4-6-15(30-3)7-5-14/h4-7,13,27H,8-12H2,1-3H3,(H,22,28,29)