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

Systemtic Name: 4-azanyl-2-hexylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-hexylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(hexylthio)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-hexylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(hexylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C12H18N4S2 MolecularWeight: 282.42812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=C(C(=N1)SC)C#N)N

Isomeric SMILES

CCCCCCSC1=NC(=C(C(=N1)SC)C#N)N

InChI

InChI=1S/C12H18N4S2/c1-3-4-5-6-7-18-12-15-10(14)9(8-13)11(16-12)17-2/h3-7H2,1-2H3,(H2,14,15,16)