N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-thiomorpholin-4-yl-quinazolin-2-amine

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-thiomorpholin-4-yl-quinazolin-2-amine Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-thiomorpholino-quinazolin-2-amine CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-thiomorpholin-4-yl-2-quinazolinamine IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-thiomorpholin-4-ylquinazolin-2-amine Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-(4-thiomorpholinoquinazolin-2-yl)amine Formula: C21H18F6N4S MolecularWeight: 472.449839

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=NC3=CC=CC=C32)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CSCCN1C2=NC(=NC3=CC=CC=C32)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N4S/c22-20(23,24)14-9-13(10-15(11-14)21(25,26)27)12-28-19-29-17-4-2-1-3-16(17)18(30-19)31-5-7-32-8-6-31/h1-4,9-11H,5-8,12H2,(H,28,29,30)