4-methylsulfanyl-2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-methylsulfanyl-2-(phenylmethylsulfanyl)-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-benzylsulfanyl-4-methylsulfanyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-(methylthio)-2-(phenylmethylthio)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-(benzylthio)-4-(methylthio)-6-pyrrolidino-pyrimidine Formula: C16H19N3S2 MolecularWeight: 317.47216

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1)N2CCCC2)SCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=NC(=C1)N2CCCC2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H19N3S2/c1-20-15-11-14(19-9-5-6-10-19)17-16(18-15)21-12-13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3