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

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)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-(hydroxymethyl)cyclobutyl]methyl ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)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-methylol-cyclobutyl]methyl ester Formula: C18H22N6O4 MolecularWeight: 386.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCC2CC(C2CO)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCC2CC(C2CO)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H22N6O4/c1-23-4-2-3-10(6-23)17(27)28-8-11-5-13(12(11)7-25)24-9-20-14-15(24)21-18(19)22-16(14)26/h2,4,6,9,11-13,25H,3,5,7-8H2,1H3,(H3,19,21,22,26)