1-(4-methylphenyl)-2-[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]guanidine

Systemtic Name: 1-(4-methylphenyl)-2-[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]guanidine Openeye Name: 2-[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]-1-(p-tolyl)guanidine CAS Name: 1-(4-methylphenyl)-2-[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]guanidine IUPAC Name: 1-(4-methylphenyl)-2-[4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]guanidine Traditional Name: 2-[4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]-1-(p-tolyl)guanidine Formula: C17H14F3N5O MolecularWeight: 361.32117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=NC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)N/C(=N/C2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F)/N

InChI

InChI=1S/C17H14F3N5O/c1-9-2-5-11(6-3-9)22-15(21)25-16-23-13-8-10(17(18,19)20)4-7-12(13)14(26)24-16/h2-8H,1H3,(H4,21,22,23,24,25,26)