7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H24N6O4/c1-22-18-17(19(28)23(2)20(22)29)26(13-21-18)12-16(27)25-9-7-24(8-10-25)14-5-4-6-15(11-14)30-3/h4-6,11,13H,7-10,12H2,1-3H3