2-[[3-(dimethylamino)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[[3-(dimethylamino)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[[3-(dimethylamino)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[[3-(dimethylamino)phenyl]methylthio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[[3-(dimethylamino)phenyl]methylsulfanyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[[3-(dimethylamino)benzyl]thio]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)CSC2=NC(=O)C3=C(N2)CCCC3

Isomeric SMILES

CN(C)C1=CC=CC(=C1)CSC2=NC(=O)C3=C(N2)CCCC3

InChI

InChI=1S/C17H21N3OS/c1-20(2)13-7-5-6-12(10-13)11-22-17-18-15-9-4-3-8-14(15)16(21)19-17/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,19,21)