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

Systemtic Name: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-[[4-(4-methoxyphenyl)piperazino]methyl]-3-methyl-xanthine Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)OC)CCOC

InChI

InChI=1S/C21H28N6O4/c1-24-19-18(20(28)23-21(24)29)27(12-13-30-2)17(22-19)14-25-8-10-26(11-9-25)15-4-6-16(31-3)7-5-15/h4-7H,8-14H2,1-3H3,(H,23,28,29)