N-[3-[2-azanyl-7-methoxy-8-(5-pyrrolidin-1-ylpyrimidin-2-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[3-[2-azanyl-7-methoxy-8-(5-pyrrolidin-1-ylpyrimidin-2-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-amino-7-methoxy-8-(5-pyrrolidin-1-ylpyrimidin-2-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-amino-7-methoxy-8-[5-(1-pyrrolidinyl)-2-pyrimidinyl]-6-quinazolinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[2-amino-7-methoxy-8-(5-pyrrolidin-1-ylpyrimidin-2-yl)quinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-amino-7-methoxy-8-(5-pyrrolidinopyrimidin-2-yl)quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C32H28F3N7O2 MolecularWeight: 599.60563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C(=C4C(=C3)C=NC(=N4)N)C5=NC=C(C=N5)N6CCCC6)OC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C(=C4C(=C3)C=NC(=N4)N)C5=NC=C(C=N5)N6CCCC6)OC

InChI

InChI=1S/C32H28F3N7O2/c1-18-8-9-22(40-30(43)19-6-5-7-21(12-19)32(33,34)35)14-24(18)25-13-20-15-39-31(36)41-27(20)26(28(25)44-2)29-37-16-23(17-38-29)42-10-3-4-11-42/h5-9,12-17H,3-4,10-11H2,1-2H3,(H,40,43)(H2,36,39,41)