2-(3-azanylpyridin-2-yl)-3-phenethyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: 2-(3-azanylpyridin-2-yl)-3-phenethyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one Openeye Name: 2-(3-amino-2-pyridyl)-3-phenethyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one CAS Name: 2-(3-amino-2-pyridinyl)-3-phenethyl-5-(trifluoromethyl)-4-pyrido[4,3-d]pyrimidinone IUPAC Name: 2-(3-aminopyridin-2-yl)-3-phenethyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one Traditional Name: 2-(3-amino-2-pyridyl)-3-phenethyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one Formula: C21H16F3N5O MolecularWeight: 411.37985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C(=NC=C3)C(F)(F)F)C4=C(C=CC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC3=C(C2=O)C(=NC=C3)C(F)(F)F)C4=C(C=CC=N4)N

InChI

InChI=1S/C21H16F3N5O/c22-21(23,24)18-16-15(8-11-27-18)28-19(17-14(25)7-4-10-26-17)29(20(16)30)12-9-13-5-2-1-3-6-13/h1-8,10-11H,9,12,25H2