[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-oxidanyl-pentan-2-yl] 2-azanyl-3-methyl-pentanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-1-oxidanyl-pentan-2-yl] 2-azanyl-3-methyl-pentanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-1-(hydroxymethyl)butyl] 2-amino-3-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxypentan-2-yl] ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-1-hydroxypentan-2-yl] 2-amino-3-methylpentanoate Traditional Name: 2-amino-3-methyl-valeric acid [4-(2-amino-6-keto-3H-purin-9-yl)-1-methylol-butyl] ester Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(CCCN1C=NC2=C1NC(=NC2=O)N)CO)N

Isomeric SMILES

CCC(C)C(C(=O)OC(CCCN1C=NC2=C1NC(=NC2=O)N)CO)N

InChI

InChI=1S/C16H26N6O4/c1-3-9(2)11(17)15(25)26-10(7-23)5-4-6-22-8-19-12-13(22)20-16(18)21-14(12)24/h8-11,23H,3-7,17H2,1-2H3,(H3,18,20,21,24)