1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[2-(2-chloranylpyrimidin-4-yl)oxyphenyl]methyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[2-(2-chloranylpyrimidin-4-yl)oxyphenyl]methyl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[[2-(2-chloropyrimidin-4-yl)oxyphenyl]methyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[[2-[(2-chloro-4-pyrimidinyl)oxy]phenyl]methyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[2-(2-chloropyrimidin-4-yl)oxyphenyl]methyl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[2-(2-chloropyrimidin-4-yl)oxybenzyl]urea Formula: C26H27ClN6O2 MolecularWeight: 490.98458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=CC=CC=C3OC4=NC(=NC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=CC=CC=C3OC4=NC(=NC=C4)Cl

InChI

InChI=1S/C26H27ClN6O2/c1-17-9-11-19(12-10-17)33-22(15-21(32-33)26(2,3)4)30-25(34)29-16-18-7-5-6-8-20(18)35-23-13-14-28-24(27)31-23/h5-15H,16H2,1-4H3,(H2,29,30,34)