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

Systemtic Name: 5-azanyl-1-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-3-methyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)-3-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-3-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-3-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-chloro-2-(methylthio)pyrimidin-4-yl]-3-methyl-pyrazole-4-carbonitrile Formula: C10H9ClN6S MolecularWeight: 280.73666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)Cl

Isomeric SMILES

CC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)SC)Cl

InChI

InChI=1S/C10H9ClN6S/c1-5-6(4-12)9(13)17(16-5)8-3-7(11)14-10(15-8)18-2/h3H,13H2,1-2H3