5-methyl-4-[3-(4-methylphenyl)-5-methylsulfanyl-thiophen-2-yl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine

Systemtic Name: 5-methyl-4-[3-(4-methylphenyl)-5-methylsulfanyl-thiophen-2-yl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine Openeye Name: N-(3-benzyloxyphenyl)-5-methyl-4-[5-methylsulfanyl-3-(p-tolyl)-2-thienyl]pyrimidin-2-amine CAS Name: 5-methyl-4-[3-(4-methylphenyl)-5-(methylthio)-2-thiophenyl]-N-(3-phenylmethoxyphenyl)-2-pyrimidinamine IUPAC Name: 5-methyl-4-[3-(4-methylphenyl)-5-methylsulfanylthiophen-2-yl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine Traditional Name: (3-benzoxyphenyl)-[5-methyl-4-[5-(methylthio)-3-(p-tolyl)-2-thienyl]pyrimidin-2-yl]amine Formula: C30H27N3OS2 MolecularWeight: 509.68488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2)SC)C3=NC(=NC=C3C)NC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2)SC)C3=NC(=NC=C3C)NC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H27N3OS2/c1-20-12-14-23(15-13-20)26-17-27(35-3)36-29(26)28-21(2)18-31-30(33-28)32-24-10-7-11-25(16-24)34-19-22-8-5-4-6-9-22/h4-18H,19H2,1-3H3,(H,31,32,33)