methyl 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[5-(4-ethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H23N3O3/c1-4-15-5-7-16(8-6-15)13-19-14(2)23-22(25-20(19)26)24-18-11-9-17(10-12-18)21(27)28-3/h5-12H,4,13H2,1-3H3,(H2,23,24,25,26)