6-azanyl-3-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Systemtic Name: 6-azanyl-3-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Openeye Name: 6-amino-3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile CAS Name: 6-amino-3-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile IUPAC Name: 6-amino-3-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Traditional Name: 6-amino-3-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4=CN=CC=C4)C

InChI

InChI=1S/C21H17N7OS/c1-11-6-12(2)26-21(14(11)7-22)30-10-16-18-17(13-4-3-5-25-9-13)15(8-23)19(24)29-20(18)28-27-16/h3-6,9,17H,10,24H2,1-2H3,(H,27,28)