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

Systemtic Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate Openeye Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate CAS Name: 1-methyl-4H-pyridine-3-carboxylic acid [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl ester IUPAC Name: [3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate Traditional Name: 1-methyl-4H-pyridine-3-carboxylic acid (3-adenin-9-yl-2-methylol-cyclobutyl)methyl ester Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCC2CC(C2CO)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCC2CC(C2CO)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H22N6O3/c1-23-4-2-3-11(6-23)18(26)27-8-12-5-14(13(12)7-25)24-10-22-15-16(19)20-9-21-17(15)24/h2,4,6,9-10,12-14,25H,3,5,7-8H2,1H3,(H2,19,20,21)