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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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