2,5-bis(azanyl)-3-methyl-7-prop-2-ynyl-6-[4-(trifluoromethyloxy)phenyl]quinazolin-4-one

Systemtic Name: 2,5-bis(azanyl)-3-methyl-7-prop-2-ynyl-6-[4-(trifluoromethyloxy)phenyl]quinazolin-4-one Openeye Name: 2,5-diamino-3-methyl-7-prop-2-ynyl-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one CAS Name: 2,5-diamino-3-methyl-7-prop-2-ynyl-6-[4-(trifluoromethoxy)phenyl]-4-quinazolinone IUPAC Name: 2,5-diamino-3-methyl-7-prop-2-ynyl-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one Traditional Name: 2,5-diamino-3-methyl-7-propargyl-6-[4-(trifluoromethoxy)phenyl]quinazolin-4-one Formula: C19H15F3N4O2 MolecularWeight: 388.34321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C(=C2N)C3=CC=C(C=C3)OC(F)(F)F)CC#C)N=C1N

Isomeric SMILES

CN1C(=O)C2=C(C=C(C(=C2N)C3=CC=C(C=C3)OC(F)(F)F)CC#C)N=C1N

InChI

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