2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CS3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O3S2/c23-18-17-15(6-11-26-17)19-16(20-18)12-21-7-9-22(10-8-21)27(24,25)13-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2,(H,19,20,23)