5-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[[4-(2-thienylsulfonyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H20N4O3S3/c26-20-19-16(15-5-2-1-3-6-15)14-30-21(19)23-17(22-20)13-24-8-10-25(11-9-24)31(27,28)18-7-4-12-29-18/h1-7,12,14H,8-11,13H2,(H,22,23,26)