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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO)N

InChI

InChI=1S/C16H26N6O4/c1-3-9(2)11(17)15(25)26-7-10(6-23)4-5-22-8-19-12-13(22)20-16(18)21-14(12)24/h8-11,23H,3-7,17H2,1-2H3,(H3,18,20,21,24)/t9?,10?,11-/m0/s1