4-methyl-6-octylsulfanyl-2-phenyl-5-(phenylmethyl)pyrimidine

Systemtic Name: 4-methyl-6-octylsulfanyl-2-phenyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-methyl-6-octylsulfanyl-2-phenyl-pyrimidine CAS Name: 4-methyl-6-(octylthio)-2-phenyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-methyl-6-octylsulfanyl-2-phenylpyrimidine Traditional Name: 5-benzyl-4-methyl-6-(octylthio)-2-phenyl-pyrimidine Formula: C26H32N2S MolecularWeight: 404.61068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1CC2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1CC2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2S/c1-3-4-5-6-7-14-19-29-26-24(20-22-15-10-8-11-16-22)21(2)27-25(28-26)23-17-12-9-13-18-23/h8-13,15-18H,3-7,14,19-20H2,1-2H3