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

Systemtic Name: ethyl 5-azanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[(2-ethoxy-2-oxoethyl)thio]-4-(3-methoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanyl-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-[(2-ethoxy-2-keto-ethyl)thio]-4-(3-methoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-4-27-13(24)10-29-20-22-16(11-7-6-8-12(9-11)26-3)14-15(21)17(19(25)28-5-2)30-18(14)23-20/h6-9H,4-5,10,21H2,1-3H3