5-azanyl-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]pyrazole-4-carbonitrile Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C(=C(C=N2)C#N)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C(=C(C=N2)C#N)N)C

InChI

InChI=1S/C12H12N6OS/c1-7-3-8(2)17-12(16-7)20-6-10(19)18-11(14)9(4-13)5-15-18/h3,5H,6,14H2,1-2H3