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

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H29N5O5S2 MolecularWeight: 483.60476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C(=O)OC

InChI

InChI=1S/C20H29N5O5S2/c1-14-16-18(26)21-15(22-19(16)31-17(14)20(27)30-2)13-23-9-11-25(12-10-23)32(28,29)24-7-5-3-4-6-8-24/h3-13H2,1-2H3,(H,21,22,26)