3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H20N4O4S2/c27-20(14-25-15-23-21-19(22(25)28)7-12-31-21)24-8-10-26(11-9-24)32(29,30)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,12-13,15H,8-11,14H2