(phenylmethyl) 4-(6-aminocarbonyl-8-oxidanylidene-2-pyridin-3-yl-7H-purin-9-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-aminocarbonyl-8-oxidanylidene-2-pyridin-3-yl-7H-purin-9-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-[6-carbamoyl-8-oxo-2-(3-pyridyl)-7H-purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[6-carbamoyl-8-oxo-2-(3-pyridinyl)-7H-purin-9-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-carbamoyl-8-oxo-2-pyridin-3-yl-7H-purin-9-yl)piperidine-1-carboxylate Traditional Name: 4-[6-carbamoyl-8-keto-2-(3-pyridyl)-7H-purin-9-yl]piperidine-1-carboxylic acid benzyl ester Formula: C24H23N7O4 MolecularWeight: 473.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CN=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CN=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C24H23N7O4/c25-20(32)18-19-22(29-21(27-18)16-7-4-10-26-13-16)31(23(33)28-19)17-8-11-30(12-9-17)24(34)35-14-15-5-2-1-3-6-15/h1-7,10,13,17H,8-9,11-12,14H2,(H2,25,32)(H,28,33)