4-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[(5-benzyl-4-hydroxy-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[[4-hydroxy-6-oxo-5-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[(5-benzyl-4-hydroxy-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[(5-benzyl-4-hydroxy-6-keto-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(N=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2C(N=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C18H17N3O4/c22-15-14(10-11-4-2-1-3-5-11)16(23)21-18(20-15)19-13-8-6-12(7-9-13)17(24)25/h1-9,14-15,22H,10H2,(H,24,25)(H2,19,20,21,23)