4-[(2-fluorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[(2-fluorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[(2-fluorophenyl)methylsulfanyl]-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[(2-fluorophenyl)methylthio]-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[(2-fluorophenyl)methylsulfanyl]-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[(2-fluorobenzyl)thio]-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC4=CC=CC=C4F

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CC=CC=N3)SCC4=CC=CC=C4F

InChI

InChI=1S/C21H20FN3OS/c22-18-10-3-1-7-15(18)14-27-20-17-9-2-4-11-19(17)25(21(26)24-20)13-16-8-5-6-12-23-16/h1,3,5-8,10,12H,2,4,9,11,13-14H2