2,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2,5-dimethyl-6-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2,5-dimethyl-6-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2,5-dimethyl-6-(4-tosylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)N=C(NC4=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)N=C(NC4=O)C)C

InChI

InChI=1S/C20H22N4O4S2/c1-12-4-6-15(7-5-12)30(27,28)24-10-8-23(9-11-24)20(26)17-13(2)16-18(25)21-14(3)22-19(16)29-17/h4-7H,8-11H2,1-3H3,(H,21,22,25)