N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(o-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-p-anisyl-5-(phenylthio)pyrimidine-4-carboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NCC3=CC=C(C=C3)OC)SC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S2/c1-19-8-6-7-9-21(19)18-33-27-29-17-24(34-23-10-4-3-5-11-23)25(30-27)26(31)28-16-20-12-14-22(32-2)15-13-20/h3-15,17H,16,18H2,1-2H3,(H,28,31)