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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4/c1-23-18-17(19(28)24(2)21(23)29)27(13-14-30-3)20(22-18)26-11-9-25(10-12-26)15-5-7-16(31-4)8-6-15/h5-8H,9-14H2,1-4H3