2-azanyl-6-[[prop-2-ynyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-azanyl-6-[[prop-2-ynyl-[4-(trifluoromethyloxy)phenyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-amino-6-[[N-prop-2-ynyl-4-(trifluoromethoxy)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-amino-6-[[N-prop-2-ynyl-4-(trifluoromethoxy)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-amino-6-[[N-prop-2-ynyl-4-(trifluoromethoxy)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-amino-6-[[N-propargyl-4-(trifluoromethoxy)anilino]methyl]-1H-quinazolin-4-one Formula: C19H15F3N4O2 MolecularWeight: 388.34321

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H15F3N4O2/c1-2-9-26(13-4-6-14(7-5-13)28-19(20,21)22)11-12-3-8-16-15(10-12)17(27)25-18(23)24-16/h1,3-8,10H,9,11H2,(H3,23,24,25,27)