5-azanyl-3-methylsulfanyl-1-(2-methylsulfanyl-6-propoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-methylsulfanyl-1-(2-methylsulfanyl-6-propoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-methylsulfanyl-1-(2-methylsulfanyl-6-propoxy-pyrimidin-4-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(methylthio)-1-[2-(methylthio)-6-propoxy-4-pyrimidinyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-methylsulfanyl-1-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(methylthio)-1-[2-(methylthio)-6-propoxy-pyrimidin-4-yl]pyrazole-4-carbonitrile Formula: C13H16N6OS2 MolecularWeight: 336.43574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)N2C(=C(C(=N2)SC)C#N)N)SC

Isomeric SMILES

CCCOC1=NC(=NC(=C1)N2C(=C(C(=N2)SC)C#N)N)SC

InChI

InChI=1S/C13H16N6OS2/c1-4-5-20-10-6-9(16-13(17-10)22-3)19-11(15)8(7-14)12(18-19)21-2/h6H,4-5,15H2,1-3H3