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

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H18ClN4OS+ MolecularWeight: 361.86902

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C(=CS3)C4=CC=C(C=C4)Cl)C(=O)N2

InChI

InChI=1S/C17H17ClN4OS/c1-21-6-8-22(9-7-21)17-19-15(23)14-13(10-24-16(14)20-17)11-2-4-12(18)5-3-11/h2-5,10H,6-9H2,1H3,(H,19,20,23)/p+1