2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]acetic acid IUPAC Name: 2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetic acid Traditional Name: 2-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]acetic acid Formula: C11H13N5O4 MolecularWeight: 279.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)O

InChI

InChI=1S/C11H13N5O4/c1-5(2)9(19)14-11-13-8-7(10(20)15-11)12-4-16(8)3-6(17)18/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,19,20)