3-[4-chloro-6-(piperidin-1-yl)pyrimidin-2-yl]-1-phenylurea

CAS: 339017-96-8

Formula: C16H18ClN5O

SMILES: ClC1=NC(NC(=O)NC2=CC=CC=C2)=NC(=C1)N1CCCCC1

IUPAC: 3-[4-chloro-6-(piperidin-1-yl)pyrimidin-2-yl]-1-phenylurea

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

Composition: C (57.92%), H (5.47%), Cl (10.68%), N (21.11%), O (4.82%)

Molar Mass: 331.8

Atom Count: 41

Heavy Atom Count: 23