6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-[(3-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)carbonyl-3-[(3-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-3-[(3-fluorophenyl)methyl]-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-3-[(3-fluorophenyl)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-3-[(3-fluorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(4-ethylpiperazin-4-ium-1-carbonyl)-3-(3-fluorobenzyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H24FN4O2S+ MolecularWeight: 415.504263

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CC(=CC=C4)F)C

InChI

InChI=1S/C21H23FN4O2S/c1-3-24-7-9-25(10-8-24)21(28)18-14(2)17-19(29-18)23-13-26(20(17)27)12-15-5-4-6-16(22)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3/p+1