methyl 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 5-[1-(4-azanyl-6-cyano-pyrimidin-2-yl)sulfanylethyl]thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 5-[1-(4-amino-6-cyano-pyrimidin-2-yl)sulfanylethyl]thieno[2,3-c]pyridine-3-carboxylate CAS Name: 5-[1-[(4-amino-6-cyano-2-pyrimidinyl)thio]ethyl]-3-thieno[2,3-c]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(4-amino-6-cyanopyrimidin-2-yl)sulfanylethyl]thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 5-[1-[(4-amino-6-cyano-pyrimidin-2-yl)thio]ethyl]thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C16H13N5O2S2 MolecularWeight: 371.43672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CS2)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CS2)C(=O)OC)SC3=NC(=CC(=N3)N)C#N

InChI

InChI=1S/C16H13N5O2S2/c1-8(25-16-20-9(5-17)3-14(18)21-16)12-4-10-11(15(22)23-2)7-24-13(10)6-19-12/h3-4,6-8H,1-2H3,(H2,18,20,21)