1-(3-chlorophenyl)-3-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[4-[(4-methyl-6-piperidin-1-yl-pyrimidin-2-yl)amino]phenyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[4-[[4-methyl-6-(1-piperidyl)pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-(3-chlorophenyl)-3-[4-[[4-methyl-6-(1-piperidinyl)-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[4-[(4-methyl-6-piperidino-pyrimidin-2-yl)amino]phenyl]urea Formula: C23H25ClN6O MolecularWeight: 436.9372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)N4CCCCC4

InChI

InChI=1S/C23H25ClN6O/c1-16-14-21(30-12-3-2-4-13-30)29-22(25-16)26-18-8-10-19(11-9-18)27-23(31)28-20-7-5-6-17(24)15-20/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,26,29)(H2,27,28,31)