3-(4-morpholin-4-ylcarbonylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-morpholin-4-ylcarbonylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-[4-(morpholine-4-carbonyl)phenyl]-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]phenyl]-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-[4-(morpholine-4-carbonyl)phenyl]-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CN=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CN=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-23(28-12-14-32-15-13-28)19-7-9-20(10-8-19)29-24(31)21-5-1-2-6-22(21)27-25(29)33-17-18-4-3-11-26-16-18/h1-11,16H,12-15,17H2