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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CCC(=C1)C(=O)OCC2(CC(C2)N3C=NC4=CN=C(N=C43)N)CO

Isomeric SMILES

CN1C=CCC(=C1)C(=O)OCC2(CC(C2)N3C=NC4=CN=C(N=C43)N)CO

InChI

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