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

Systemtic Name: 4-azanyl-2-dodecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-dodecylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(dodecylthio)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-dodecylsulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(laurylthio)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C18H30N4S2 MolecularWeight: 366.5876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=C(C(=N1)SC)C#N)N

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=C(C(=N1)SC)C#N)N

InChI

InChI=1S/C18H30N4S2/c1-3-4-5-6-7-8-9-10-11-12-13-24-18-21-16(20)15(14-19)17(22-18)23-2/h3-13H2,1-2H3,(H2,20,21,22)