ethyl 5-azanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-pyridin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-pyridin-4-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(4-pyridyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[(2-ethoxy-2-oxoethyl)thio]-4-pyridin-4-yl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-[(2-ethoxy-2-keto-ethyl)thio]-4-(4-pyridyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O4S2/c1-3-25-11(23)9-27-18-21-14(10-5-7-20-8-6-10)12-13(19)15(17(24)26-4-2)28-16(12)22-18/h5-8H,3-4,9,19H2,1-2H3