N-(4-methylsulfonylphenyl)-2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: 2-(benzyloxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-(4-methylsulfonylphenyl)-2-(phenylmethoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: [2-(benzoxymethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]-(4-mesylphenyl)amine Formula: C29H23F3N4O3S MolecularWeight: 564.57813

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)COCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)COCC5=CC=CC=C5

InChI

InChI=1S/C29H23F3N4O3S/c1-40(37,38)22-12-10-21(11-13-22)34-28-23-14-9-20(27-24(29(30,31)32)8-5-15-33-27)16-25(23)35-26(36-28)18-39-17-19-6-3-2-4-7-19/h2-16H,17-18H2,1H3,(H,34,35,36)