1-[2-azanyl-5-[[2-chloranyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-4-one

Systemtic Name: 1-[2-azanyl-5-[[2-chloranyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[2-amino-5-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[2-amino-5-[2-chloro-4-(trifluoromethyl)benzyl]pyrimidin-4-yl]-4-piperidone Formula: C17H16ClF3N4O MolecularWeight: 384.78335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=NC(=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl)N

Isomeric SMILES

C1CN(CCC1=O)C2=NC(=NC=C2CC3=C(C=C(C=C3)C(F)(F)F)Cl)N

InChI

InChI=1S/C17H16ClF3N4O/c18-14-8-12(17(19,20)21)2-1-10(14)7-11-9-23-16(22)24-15(11)25-5-3-13(26)4-6-25/h1-2,8-9H,3-7H2,(H2,22,23,24)