3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H22BrN4O3S2+ MolecularWeight: 498.43698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H21BrN4O3S2/c1-2-15-11-17-18(28-15)21-12-23(19(17)25)13-22-6-8-24(9-7-22)29(26,27)16-5-3-4-14(20)10-16/h3-5,10-12H,2,6-9,13H2,1H3/p+1