butyl 3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]benzoate

Systemtic Name: butyl 3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: butyl 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]benzoic acid butyl ester IUPAC Name: butyl 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)amino]benzoic acid butyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-2-3-12-27-20(26)16-10-7-11-17(13-16)22-21-23-18(14-19(25)24-21)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H2,22,23,24,25)