6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4,4-dimethyl-hexanoic acid

Systemtic Name: 6-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4,4-dimethyl-hexanoic acid Openeye Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethyl-hexanoic acid CAS Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethylhexanoic acid IUPAC Name: 6-(2-amino-6-oxo-3H-purin-9-yl)-4,4-dimethylhexanoic acid Traditional Name: 6-(2-amino-6-keto-3H-purin-9-yl)-4,4-dimethyl-hexanoic acid Formula: C13H19N5O3 MolecularWeight: 293.32166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)O)CCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)(CCC(=O)O)CCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H19N5O3/c1-13(2,4-3-8(19)20)5-6-18-7-15-9-10(18)16-12(14)17-11(9)21/h7H,3-6H2,1-2H3,(H,19,20)(H3,14,16,17,21)