1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-(2-amino-6-chloro-pyrimidin-4-yl)-N-phenyl-piperidine-4-carboxamide CAS Name: 1-(2-amino-6-chloro-4-pyrimidinyl)-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(2-amino-6-chloropyrimidin-4-yl)-N-phenylpiperidine-4-carboxamide Traditional Name: 1-(2-amino-6-chloro-pyrimidin-4-yl)-N-phenyl-isonipecotamide Formula: C16H18ClN5O MolecularWeight: 331.80002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H18ClN5O/c17-13-10-14(21-16(18)20-13)22-8-6-11(7-9-22)15(23)19-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,19,23)(H2,18,20,21)