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

Systemtic Name: N-[3-[2-azanyl-8-(6-azanylpyridin-3-yl)-7-methoxy-quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-[2-amino-8-(6-amino-3-pyridyl)-7-methoxy-quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-[2-amino-8-(6-amino-3-pyridinyl)-7-methoxy-6-quinazolinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-[2-amino-8-(6-aminopyridin-3-yl)-7-methoxyquinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-[2-amino-8-(6-amino-3-pyridyl)-7-methoxy-quinazolin-6-yl]-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C29H23F3N6O2 MolecularWeight: 544.52713

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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=CN=C(C=C5)N)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=CN=C(C=C5)N)OC

InChI

InChI=1S/C29H23F3N6O2/c1-15-6-8-20(37-27(39)16-4-3-5-19(10-16)29(30,31)32)12-21(15)22-11-18-14-36-28(34)38-25(18)24(26(22)40-2)17-7-9-23(33)35-13-17/h3-14H,1-2H3,(H2,33,35)(H,37,39)(H2,34,36,38)