N-phenethyl-2-(thiomorpholin-4-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Systemtic Name: N-phenethyl-2-(thiomorpholin-4-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Openeye Name: N-phenethyl-2-(thiomorpholinomethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-amine CAS Name: N-phenethyl-2-(thiomorpholin-4-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine IUPAC Name: N-phenethyl-2-(thiomorpholin-4-ylmethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine Traditional Name: phenethyl-[2-(thiomorpholinomethyl)-7-[3-(trifluoromethyl)-2-pyridyl]quinazolin-4-yl]amine Formula: C27H26F3N5S MolecularWeight: 509.58905

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

Isomeric SMILES

C1CSCCN1CC2=NC3=C(C=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=N2)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H26F3N5S/c28-27(29,30)22-7-4-11-31-25(22)20-8-9-21-23(17-20)33-24(18-35-13-15-36-16-14-35)34-26(21)32-12-10-19-5-2-1-3-6-19/h1-9,11,17H,10,12-16,18H2,(H,32,33,34)