[3-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] 2-azanyl-3-methyl-pentanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)CO)N

Isomeric SMILES

CCC(C)C(C(=O)OCCC(CN1C=NC2=C1NC(=NC2=O)N)CO)N

InChI

InChI=1S/C16H26N6O4/c1-3-9(2)11(17)15(25)26-5-4-10(7-23)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)