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

Systemtic Name: 4-decylsulfanyl-6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-decylsulfanyl-6-methyl-2-phenyl-pyrimidine CAS Name: 4-(decylthio)-6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-decylsulfanyl-6-methyl-2-phenylpyrimidine Traditional Name: 5-benzyl-4-(decylthio)-6-methyl-2-phenyl-pyrimidine Formula: C28H36N2S MolecularWeight: 432.66384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC(=NC(=C1CC2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCSC1=NC(=NC(=C1CC2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C28H36N2S/c1-3-4-5-6-7-8-9-16-21-31-28-26(22-24-17-12-10-13-18-24)23(2)29-27(30-28)25-19-14-11-15-20-25/h10-15,17-20H,3-9,16,21-22H2,1-2H3