4-(3-methylbutyl)-2,6-bis(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-(3-methylbutyl)-2,6-bis(phenylmethylsulfanyl)pyrimidine Openeye Name: 2,4-bis(benzylsulfanyl)-6-isopentyl-pyrimidine CAS Name: 4-(3-methylbutyl)-2,6-bis(phenylmethylthio)pyrimidine IUPAC Name: 2,4-bis(benzylsulfanyl)-6-(3-methylbutyl)pyrimidine Traditional Name: 2,4-bis(benzylthio)-6-isoamyl-pyrimidine Formula: C23H26N2S2 MolecularWeight: 394.59594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2S2/c1-18(2)13-14-21-15-22(26-16-19-9-5-3-6-10-19)25-23(24-21)27-17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3