2-[2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-methyl-butyric acid Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4/c1-10(2)14(17(24)25)20-13(22)9-21-15(11-6-4-3-5-7-11)19-8-12(18)16(21)23/h3-8,10,14H,9,18H2,1-2H3,(H,20,22)(H,24,25)