methyl 2-[(4-ethanoylpiperazin-1-yl)methyl]-5-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(4-ethanoylpiperazin-1-yl)methyl]-5-ethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-acetylpiperazin-1-yl)methyl]-5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-acetyl-1-piperazinyl)methyl]-5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetylpiperazin-1-yl)methyl]-5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-acetylpiperazino)methyl]-5-ethyl-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C)C(=O)OC

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C)C(=O)OC

InChI

InChI=1S/C17H22N4O4S/c1-4-11-13-15(23)18-12(19-16(13)26-14(11)17(24)25-3)9-20-5-7-21(8-6-20)10(2)22/h4-9H2,1-3H3,(H,18,19,23)