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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-besylpiperazino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C20H22N4O5S2/c1-13-16-18(25)21-15(22-19(16)30-17(13)20(26)29-2)12-23-8-10-24(11-9-23)31(27,28)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,21,22,25)