1-[(4-fluorophenyl)methyl]-3-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]urea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)butyl]urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]pentan-2-yl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]urea Traditional Name: 1-(4-fluorobenzyl)-3-[1-[4-(2-pyrimidyl)piperazine-1-carbonyl]butyl]urea Formula: C21H27FN6O2 MolecularWeight: 414.476483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H27FN6O2/c1-2-4-18(26-21(30)25-15-16-5-7-17(22)8-6-16)19(29)27-11-13-28(14-12-27)20-23-9-3-10-24-20/h3,5-10,18H,2,4,11-15H2,1H3,(H2,25,26,30)