ethyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C19H18N6O3S2 MolecularWeight: 442.51462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H18N6O3S2/c1-4-28-18(27)15-14(13-9(2)5-10(3)23-17(13)30-15)24-12(26)8-29-19-22-7-11(6-20)16(21)25-19/h5,7H,4,8H2,1-3H3,(H,24,26)(H2,21,22,25)