1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-1,3-dimethyl-7-(2-morpholinoethyl)xanthine Formula: C25H35N7O3 MolecularWeight: 481.5905

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCN5CCOCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCN5CCOCC5

InChI

InChI=1S/C25H35N7O3/c1-27-23-22(24(33)28(2)25(27)34)32(13-12-29-14-16-35-17-15-29)21(26-23)19-31-10-8-30(9-11-31)18-20-6-4-3-5-7-20/h3-7H,8-19H2,1-2H3