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

Systemtic Name: 2-azanyl-4-hexadecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-hexadecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(hexadecylthio)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-hexadecylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(cetylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C22H38N4S2 MolecularWeight: 422.69392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=NC(=C1C#N)SC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC(=NC(=C1C#N)SC)N

InChI

InChI=1S/C22H38N4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-21-19(18-23)20(27-2)25-22(24)26-21/h3-17H2,1-2H3,(H2,24,25,26)