2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-methyl-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-methyl-3-oxidanylidene-pentanoic acid Openeye Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-4-methyl-3-oxo-pentanoic acid CAS Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-4-methyl-3-oxopentanoic acid IUPAC Name: 2-(2-amino-6-oxo-3H-purin-9-yl)-4-methyl-3-oxopentanoic acid Traditional Name: 2-(2-amino-6-keto-3H-purin-9-yl)-3-keto-4-methyl-valeric acid Formula: C11H13N5O4 MolecularWeight: 279.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(=O)O)N1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(C)C(=O)C(C(=O)O)N1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C11H13N5O4/c1-4(2)7(17)6(10(19)20)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6H,1-2H3,(H,19,20)(H3,12,14,15,18)