N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(6,7-dimethoxyquinazolin-4-yl)amine Formula: C18H13F6N3O2 MolecularWeight: 417.305139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

InChI

InChI=1S/C18H13F6N3O2/c1-28-14-6-12-13(7-15(14)29-2)25-8-26-16(12)27-11-4-9(17(19,20)21)3-10(5-11)18(22,23)24/h3-8H,1-2H3,(H,25,26,27)