1-[4-(3-chlorophenyl)-2-phenyl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea

Systemtic Name: 1-[4-(3-chlorophenyl)-2-phenyl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Openeye Name: 1-[4-(3-chlorophenyl)-2-phenyl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea CAS Name: 1-[4-(3-chlorophenyl)-2-phenyl-5-pyrimidinyl]-3-(2,6-diethylphenyl)urea IUPAC Name: 1-[4-(3-chlorophenyl)-2-phenylpyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Traditional Name: 1-[4-(3-chlorophenyl)-2-phenyl-pyrimidin-5-yl]-3-(2,6-diethylphenyl)urea Formula: C27H25ClN4O MolecularWeight: 456.9666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CN=C(N=C2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CN=C(N=C2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H25ClN4O/c1-3-18-12-8-13-19(4-2)24(18)32-27(33)30-23-17-29-26(20-10-6-5-7-11-20)31-25(23)21-14-9-15-22(28)16-21/h5-17H,3-4H2,1-2H3,(H2,30,32,33)