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

Systemtic Name: 2-[2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoylamino]butanedioic acid Openeye Name: 2-[[2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)acetyl]amino]butanedioic acid CAS Name: 2-[[2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]butanedioic acid Traditional Name: 2-[[2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)acetyl]amino]succinic acid Formula: C16H16N4O6 MolecularWeight: 360.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C16H16N4O6/c17-10-7-18-14(9-4-2-1-3-5-9)20(15(10)24)8-12(21)19-11(16(25)26)6-13(22)23/h1-5,7,11H,6,8,17H2,(H,19,21)(H,22,23)(H,25,26)