1-(2-tert-butyl-6-methyl-phenyl)-3-[4-(2-chlorophenyl)-2-phenyl-pyrimidin-5-yl]urea

Systemtic Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-(2-chlorophenyl)-2-phenyl-pyrimidin-5-yl]urea Openeye Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-(2-chlorophenyl)-2-phenyl-pyrimidin-5-yl]urea CAS Name: 1-(2-tert-butyl-6-methylphenyl)-3-[4-(2-chlorophenyl)-2-phenyl-5-pyrimidinyl]urea IUPAC Name: 1-(2-tert-butyl-6-methylphenyl)-3-[4-(2-chlorophenyl)-2-phenylpyrimidin-5-yl]urea Traditional Name: 1-(2-tert-butyl-6-methyl-phenyl)-3-[4-(2-chlorophenyl)-2-phenyl-pyrimidin-5-yl]urea Formula: C28H27ClN4O MolecularWeight: 470.99318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC2=CN=C(N=C2C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)NC2=CN=C(N=C2C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C28H27ClN4O/c1-18-11-10-15-21(28(2,3)4)24(18)33-27(34)31-23-17-30-26(19-12-6-5-7-13-19)32-25(23)20-14-8-9-16-22(20)29/h5-17H,1-4H3,(H2,31,33,34)