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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] (2S)-2-azanyl-3-methyl-butanoate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic 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-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] ester Formula: C15H24N6O4 MolecularWeight: 352.38886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O4/c1-8(2)10(16)14(24)25-6-9(5-22)3-4-21-7-18-11-12(21)19-15(17)20-13(11)23/h7-10,22H,3-6,16H2,1-2H3,(H3,17,19,20,23)/t9?,10-/m0/s1