6-ethanoyl-5-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(4-besylpiperazino)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-13-17-19(26)21-16(22-20(17)29-18(13)14(2)25)12-23-8-10-24(11-9-23)30(27,28)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,21,22,26)