[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(1-methyl-4H-pyridin-3-yl)carbonyloxymethyl]cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[(1-methyl-4H-pyridin-3-yl)carbonyloxymethyl]cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)oxymethyl]cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate CAS Name: 1-methyl-4H-pyridine-3-carboxylic acid [3-(2-amino-6-oxo-3H-purin-9-yl)-2-[[(1-methyl-4H-pyridin-3-yl)-oxomethoxy]methyl]cyclobutyl]methyl ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)oxymethyl]cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate Traditional Name: 1-methyl-4H-pyridine-3-carboxylic acid [3-(2-amino-6-keto-3H-purin-9-yl)-2-[(1-methyl-4H-pyridine-3-carbonyl)oxymethyl]cyclobutyl]methyl ester Formula: C25H29N7O5 MolecularWeight: 507.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCC2CC(C2COC(=O)C3=CN(C=CC3)C)N4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCC2CC(C2COC(=O)C3=CN(C=CC3)C)N4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C25H29N7O5/c1-30-7-3-5-15(10-30)23(34)36-12-17-9-19(32-14-27-20-21(32)28-25(26)29-22(20)33)18(17)13-37-24(35)16-6-4-8-31(2)11-16/h3-4,7-8,10-11,14,17-19H,5-6,9,12-13H2,1-2H3,(H3,26,28,29,33)