4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one CAS Name: 4-[(4-chlorophenyl)methylthio]-2-[(4,6,7-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-6-one IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Traditional Name: 4-[(4-chlorobenzyl)thio]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one Formula: C22H20ClN5OS MolecularWeight: 437.9451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=CC(=O)N3)SCC4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=CC(=O)N3)SCC4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C22H20ClN5OS/c1-12-8-17-14(3)24-21(25-18(17)9-13(12)2)28-22-26-19(29)10-20(27-22)30-11-15-4-6-16(23)7-5-15/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29)