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

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-phenacylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-phenacylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-6-(phenacylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-phenacylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(methylthio)-6-(phenacylthio)pyrimidine-5-carbonitrile Formula: C14H12N4OS2 MolecularWeight: 316.40128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C14H12N4OS2/c1-20-12-10(7-15)13(18-14(16)17-12)21-8-11(19)9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,16,17,18)