3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-[(3-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(3-fluorobenzyl)thio]quinazolin-4-one Formula: C21H18FN5OS MolecularWeight: 407.463923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H18FN5OS/c1-13-10-14(2)24-20(23-13)26-27-19(28)17-8-3-4-9-18(17)25-21(27)29-12-15-6-5-7-16(22)11-15/h3-11H,12H2,1-2H3,(H,23,24,26)