6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]quinazolin-4-yl]amine Formula: C21H22F3N5O4S MolecularWeight: 497.49069

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)N)OC

InChI

InChI=1S/C21H22F3N5O4S/c1-32-17-11-15-16(12-18(17)33-2)26-20(27-19(15)25)28-7-9-29(10-8-28)34(30,31)14-5-3-13(4-6-14)21(22,23)24/h3-6,11-12H,7-10H2,1-2H3,(H2,25,26,27)