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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[1-[4-(3-pyridylsulfonyl)piperazino]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C21H25N5O5S2/c1-4-31-21(28)17-13(2)16-19(27)23-18(24-20(16)32-17)14(3)25-8-10-26(11-9-25)33(29,30)15-6-5-7-22-12-15/h5-7,12,14H,4,8-11H2,1-3H3,(H,23,24,27)