5,6-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-d]pyrimidin-4-one Formula: C23H25N4O3S2+ MolecularWeight: 469.5996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C23H24N4O3S2/c1-16-17(2)31-22-21(16)23(28)26(14-24-22)15-25-9-11-27(12-10-25)32(29,30)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-14H,9-12,15H2,1-2H3/p+1