3-methyl-4-oxidanylidene-N-[2-(piperazin-1-ylmethyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2-(piperazin-1-ylmethyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(piperazin-1-ylmethyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-piperazinylmethyl)-4-pyrimidinyl]-2-[3-(trifluoromethyl)phenyl]-8-quinazolinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[2-(piperazin-1-ylmethyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(piperazinomethyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide Formula: C26H24F3N7O2 MolecularWeight: 523.50967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=NC(=NC=C3)CN4CCNCC4)C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=CC=C2C(=O)NC3=NC(=NC=C3)CN4CCNCC4)C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C26H24F3N7O2/c1-35-23(16-4-2-5-17(14-16)26(27,28)29)34-22-18(6-3-7-19(22)25(35)38)24(37)33-20-8-9-31-21(32-20)15-36-12-10-30-11-13-36/h2-9,14,30H,10-13,15H2,1H3,(H,31,32,33,37)