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

Systemtic Name: 1-(2,6-diethylphenyl)-3-[4-(2-methylsulfanylphenyl)-2-phenyl-pyrimidin-5-yl]urea Openeye Name: 1-(2,6-diethylphenyl)-3-[4-(2-methylsulfanylphenyl)-2-phenyl-pyrimidin-5-yl]urea CAS Name: 1-(2,6-diethylphenyl)-3-[4-[2-(methylthio)phenyl]-2-phenyl-5-pyrimidinyl]urea IUPAC Name: 1-(2,6-diethylphenyl)-3-[4-(2-methylsulfanylphenyl)-2-phenylpyrimidin-5-yl]urea Traditional Name: 1-(2,6-diethylphenyl)-3-[4-[2-(methylthio)phenyl]-2-phenyl-pyrimidin-5-yl]urea Formula: C28H28N4OS MolecularWeight: 468.61312

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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=C3SC)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=CN=C(N=C2C3=CC=CC=C3SC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4OS/c1-4-19-14-11-15-20(5-2)25(19)32-28(33)30-23-18-29-27(21-12-7-6-8-13-21)31-26(23)22-16-9-10-17-24(22)34-3/h6-18H,4-5H2,1-3H3,(H2,30,32,33)