1,3-dimethyl-7-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]purine-2,6-dione Openeye Name: 7-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]purine-2,6-dione IUPAC Name: 7-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-benzylpiperidino)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3/c1-25-21-20(22(30)26(2)23(25)31)28(16-24-21)12-6-9-19(29)27-13-10-18(11-14-27)15-17-7-4-3-5-8-17/h3-5,7-8,16,18H,6,9-15H2,1-2H3