methyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H19N5O3S/c1-12-7-13(2)27-21(15(12)8-23)31-11-17-19(22(28)29-3)18(14-5-4-6-26-10-14)16(9-24)20(25)30-17/h4-7,10,18H,11,25H2,1-3H3