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

Systemtic Name: 1-(phenylmethyl)-3-[1-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylcyclohexyl]urea Openeye Name: 1-benzyl-3-[1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]urea CAS Name: 1-[1-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]cyclohexyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexyl]urea Traditional Name: 1-benzyl-3-[1-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohexyl]urea Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)N2CCN(CC2)C3=NC=CC=N3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c30-20(28-14-16-29(17-15-28)21-24-12-7-13-25-21)23(10-5-2-6-11-23)27-22(31)26-18-19-8-3-1-4-9-19/h1,3-4,7-9,12-13H,2,5-6,10-11,14-18H2,(H2,26,27,31)