2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: 2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: 2-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C17H17FN3O2S- MolecularWeight: 346.399183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H18FN3O2S/c18-12-7-5-11(6-8-12)9-19-15(22)10-24-17-20-14-4-2-1-3-13(14)16(23)21-17/h5-8H,1-4,9-10H2,(H,19,22)(H,20,21,23)/p-1