N4-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylsulfanyl)pyrimidine-4,5-diamine

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylsulfanyl)pyrimidine-4,5-diamine Openeye Name: 6-benzylsulfanyl-N4-[(4-methoxyphenyl)methyl]-2-phenyl-pyrimidine-4,5-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-2-phenyl-6-(phenylmethylthio)pyrimidine-4,5-diamine IUPAC Name: 6-benzylsulfanyl-4-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(benzylthio)-2-phenyl-pyrimidin-4-yl]-p-anisyl-amine Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC=CC=C4)N

InChI

InChI=1S/C25H24N4OS/c1-30-21-14-12-18(13-15-21)16-27-24-22(26)25(31-17-19-8-4-2-5-9-19)29-23(28-24)20-10-6-3-7-11-20/h2-15H,16-17,26H2,1H3,(H,27,28,29)