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

Systemtic Name: 7-(2-hydroxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O4/c1-22-16-15(17(27)21-19(22)28)25(11-12-26)18(20-16)24-9-7-23(8-10-24)13-3-5-14(29-2)6-4-13/h3-6,26H,7-12H2,1-2H3,(H,21,27,28)