1-(2-oxidanylideneazepan-3-yl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

Systemtic Name: 1-(2-oxidanylideneazepan-3-yl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea Openeye Name: 1-(2-oxoazepan-3-yl)-3-(1-pyrimidin-2-yl-3-piperidyl)urea CAS Name: 1-(2-oxo-3-azepanyl)-3-[1-(2-pyrimidinyl)-3-piperidinyl]urea IUPAC Name: 1-(2-oxoazepan-3-yl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea Traditional Name: 1-(2-ketoazepan-3-yl)-3-[1-(2-pyrimidyl)-3-piperidyl]urea Formula: C16H24N6O2 MolecularWeight: 332.40076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)NC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C16H24N6O2/c23-14-13(6-1-2-7-17-14)21-16(24)20-12-5-3-10-22(11-12)15-18-8-4-9-19-15/h4,8-9,12-13H,1-3,5-7,10-11H2,(H,17,23)(H2,20,21,24)