ethyl 4-azanyl-2-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-4-amino-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]methyl]-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC(=C(C=C3C#N)C(=O)C)C)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC(=C(C=C3C#N)C(=O)C)C)N)C

InChI

InChI=1S/C20H19N5O3S2/c1-5-28-20(27)16-9(2)15-17(22)24-14(25-19(15)30-16)8-29-18-12(7-21)6-13(11(4)26)10(3)23-18/h6H,5,8H2,1-4H3,(H2,22,24,25)