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

Systemtic Name: ethyl 4-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[(5-benzyl-4-hydroxy-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[[4-hydroxy-6-oxo-5-(phenylmethyl)-4,5-dihydro-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-benzyl-4-hydroxy-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(5-benzyl-4-hydroxy-6-keto-4,5-dihydro-1H-pyrimidin-2-yl)amino]benzoic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H21N3O4/c1-2-27-19(26)14-8-10-15(11-9-14)21-20-22-17(24)16(18(25)23-20)12-13-6-4-3-5-7-13/h3-11,16-17,24H,2,12H2,1H3,(H2,21,22,23,25)