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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCC2C(CC2N3C=NC4=CN=C(N=C43)N)CO

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCC2C(CC2N3C=NC4=CN=C(N=C43)N)CO

InChI

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