4-butan-2-ylsulfanyl-2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidine

Systemtic Name: 4-butan-2-ylsulfanyl-2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidine Openeye Name: 2-cyclohexylsulfanyl-5-methyl-4-(m-tolylmethyl)-6-sec-butylsulfanyl-pyrimidine CAS Name: 4-(butan-2-ylthio)-2-(cyclohexylthio)-5-methyl-6-[(3-methylphenyl)methyl]pyrimidine IUPAC Name: 4-butan-2-ylsulfanyl-2-cyclohexylsulfanyl-5-methyl-6-[(3-methylphenyl)methyl]pyrimidine Traditional Name: 2-(cyclohexylthio)-5-methyl-4-(3-methylbenzyl)-6-(sec-butylthio)pyrimidine Formula: C23H32N2S2 MolecularWeight: 400.64358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=NC(=C1C)CC2=CC=CC(=C2)C)SC3CCCCC3

Isomeric SMILES

CCC(C)SC1=NC(=NC(=C1C)CC2=CC=CC(=C2)C)SC3CCCCC3

InChI

InChI=1S/C23H32N2S2/c1-5-17(3)26-22-18(4)21(15-19-11-9-10-16(2)14-19)24-23(25-22)27-20-12-7-6-8-13-20/h9-11,14,17,20H,5-8,12-13,15H2,1-4H3