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

Systemtic Name: 2-[2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4/c22-16-12-23-19(15-9-5-2-6-10-15)25(20(16)27)13-18(26)24-17(21(28)29)11-14-7-3-1-4-8-14/h1-10,12,17H,11,13,22H2,(H,24,26)(H,28,29)