2-azanyl-4-[2-(4-methylphenyl)sulfonylethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-[2-(4-methylphenyl)sulfonylethylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-[2-(p-tolylsulfonyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-[2-(4-methylphenyl)sulfonylethylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-[2-(4-methylphenyl)sulfonylethylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(methylthio)-6-(2-tosylethylthio)pyrimidine-5-carbonitrile Formula: C15H16N4O2S3 MolecularWeight: 380.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC(=NC(=C2C#N)SC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=NC(=NC(=C2C#N)SC)N

InChI

InChI=1S/C15H16N4O2S3/c1-10-3-5-11(6-4-10)24(20,21)8-7-23-14-12(9-16)13(22-2)18-15(17)19-14/h3-6H,7-8H2,1-2H3,(H2,17,18,19)