2-azanyl-4-decylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-decylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-decylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(decylthio)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-decylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(decylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C16H26N4S2 MolecularWeight: 338.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CCCCCCCCCCSC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C16H26N4S2/c1-3-4-5-6-7-8-9-10-11-22-15-13(12-17)14(21-2)19-16(18)20-15/h3-11H2,1-2H3,(H2,18,19,20)