[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-4-methyl-pentanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-4-methyl-pentanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-amino-4-methyl-pentanoate CAS Name: 2-amino-4-methylpentanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-amino-4-methylpentanoate Traditional Name: 2-amino-4-methyl-valeric acid (5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl) ester Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N)N

Isomeric SMILES

CC(C)CC(C(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N)N

InChI

InChI=1S/C16H24N6O4/c1-8(2)3-9(17)16(24)26-10-4-12(25-11(10)5-23)22-7-21-13-14(18)19-6-20-15(13)22/h6-12,23H,3-5,17H2,1-2H3,(H2,18,19,20)