3-butyl-7-methyl-8-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-8-[[4-(2-keto-3H-benzimidazol-1-yl)piperidino]methyl]-7-methyl-xanthine Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCC(CC3)N4C5=CC=CC=C5NC4=O)C

InChI

InChI=1S/C23H29N7O3/c1-3-4-11-29-20-19(21(31)26-22(29)32)27(2)18(25-20)14-28-12-9-15(10-13-28)30-17-8-6-5-7-16(17)24-23(30)33/h5-8,15H,3-4,9-14H2,1-2H3,(H,24,33)(H,26,31,32)