ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-(pyridin-3-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-(pyridin-3-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-(3-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(3-pyridinylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(pyridin-3-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(3-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC(=O)OC)NCC3=CN=CC=C3)C

InChI

InChI=1S/C19H20N4O4S/c1-4-27-19(25)16-11(2)15-17(21-10-12-6-5-7-20-9-12)22-13(8-14(24)26-3)23-18(15)28-16/h5-7,9H,4,8,10H2,1-3H3,(H,21,22,23)