1-(pyridin-2-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 1-(pyridin-2-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 1-(2-pyridylmethyl)-4-(3-pyridylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 1-(2-pyridinylmethyl)-4-(3-pyridinylmethylthio)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 1-(pyridin-2-ylmethyl)-4-(pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 1-(2-pyridylmethyl)-4-(3-pyridylmethylthio)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C20H20N4OS MolecularWeight: 364.464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H20N4OS/c25-20-23-19(26-14-15-6-5-10-21-12-15)17-8-1-2-9-18(17)24(20)13-16-7-3-4-11-22-16/h3-7,10-12H,1-2,8-9,13-14H2