[3,5-bis(trifluoromethyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl] 2,4-bis(azanyl)quinazoline-6-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate CAS Name: 2,4-diamino-6-quinazolinecarboxylic acid [3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl] 2,4-diaminoquinazoline-6-carboxylate Traditional Name: 2,4-diaminoquinazoline-6-carboxylic acid [3,5-bis(trifluoromethyl)phenyl] ester Formula: C17H10F6N4O2 MolecularWeight: 416.277319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=NC(=N2)N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=NC(=N2)N)N

InChI

InChI=1S/C17H10F6N4O2/c18-16(19,20)8-4-9(17(21,22)23)6-10(5-8)29-14(28)7-1-2-12-11(3-7)13(24)27-15(25)26-12/h1-6H,(H4,24,25,26,27)