1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butan-1-one Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-butan-1-one CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-(4-thieno[2,3-d]pyrimidinylthio)-1-butanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-thieno[2,3-d]pyrimidin-4-ylsulfanylbutan-1-one Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-4-(thieno[2,3-d]pyrimidin-4-ylthio)butan-1-one Formula: C20H21ClN4O3S3 MolecularWeight: 497.05374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC=NC3=C2C=CS3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O3S3/c21-15-3-5-16(6-4-15)31(27,28)25-10-8-24(9-11-25)18(26)2-1-12-29-19-17-7-13-30-20(17)23-14-22-19/h3-7,13-14H,1-2,8-12H2