1-phenyl-3-[1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]urea

Systemtic Name: 1-phenyl-3-[1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]urea Openeye Name: 1-phenyl-3-[1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]urea CAS Name: 1-[1-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]-3-phenylurea IUPAC Name: 1-phenyl-3-[1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]urea Traditional Name: 1-phenyl-3-[1-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]urea Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c29-19(27-14-16-28(17-15-27)20-23-12-7-13-24-20)22(10-5-2-6-11-22)26-21(30)25-18-8-3-1-4-9-18/h1,3-4,7-9,12-13H,2,5-6,10-11,14-17H2,(H2,25,26,30)