5-methyl-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-5-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzyl-5-methyl-6-(4-methylsulfonylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-6-(4-mesylpiperazine-1-carbonyl)-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)CC3=CC=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C

InChI

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