2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxidanylidene-3-(2-phenylsulfanylphenyl)-4,5-dihydropyrimidine-4-carboxylic acid

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxidanylidene-3-(2-phenylsulfanylphenyl)-4,5-dihydropyrimidine-4-carboxylic acid Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-(2-phenylsulfanylphenyl)-4,5-dihydropyrimidine-4-carboxylic acid CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]-6-oxo-3-[2-(phenylthio)phenyl]-4,5-dihydropyrimidine-4-carboxylic acid IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-oxo-3-(2-phenylsulfanylphenyl)-4,5-dihydropyrimidine-4-carboxylic acid Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-keto-3-[2-(phenylthio)phenyl]-4,5-dihydropyrimidine-4-carboxylic acid Formula: C23H21N5O3S MolecularWeight: 447.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC=CC=C3SC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=NC(=O)CC(N2C3=CC=CC=C3SC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C23H21N5O3S/c1-14-12-15(2)25-22(24-14)27-23-26-20(29)13-18(21(30)31)28(23)17-10-6-7-11-19(17)32-16-8-4-3-5-9-16/h3-12,18H,13H2,1-2H3,(H,30,31)(H,24,25,26,27,29)