2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-ethylamino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C17H15ClF3N3OS MolecularWeight: 401.83371

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15ClF3N3OS/c1-2-24(8-11-4-6-14(18)26-11)9-15-22-13-7-10(17(19,20)21)3-5-12(13)16(25)23-15/h3-7H,2,8-9H2,1H3,(H,22,23,25)