2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-mesylpiperazin-1-ium-1-yl)methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H21N4O3S3+ MolecularWeight: 425.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C17H20N4O3S3/c1-11-3-4-13(26-11)12-10-25-17-15(12)16(22)18-14(19-17)9-20-5-7-21(8-6-20)27(2,23)24/h3-4,10H,5-9H2,1-2H3,(H,18,19,22)/p+1