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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H20ClN4O2S+ MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C19H19ClN4O2S/c1-12(25)24-8-6-23(7-9-24)10-16-21-18(26)17-15(11-27-19(17)22-16)13-2-4-14(20)5-3-13/h2-5,11H,6-10H2,1H3,(H,21,22,26)/p+1