9-(2-methoxyphenyl)-8-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]-7H-purine-6-carboxamide

Systemtic Name: 9-(2-methoxyphenyl)-8-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]-7H-purine-6-carboxamide Openeye Name: 2-(1-benzyl-4-piperidyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(2-methoxyphenyl)-8-oxo-2-[1-(phenylmethyl)-4-piperidinyl]-7H-purine-6-carboxamide IUPAC Name: 2-(1-benzylpiperidin-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-(1-benzyl-4-piperidyl)-8-keto-9-(2-methoxyphenyl)-7H-purine-6-carboxamide Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3/c1-34-19-10-6-5-9-18(19)31-24-21(28-25(31)33)20(22(26)32)27-23(29-24)17-11-13-30(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,26,32)(H,28,33)