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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H19N4OS+ MolecularWeight: 327.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-20-7-9-21(10-8-20)17-18-15(22)14-13(11-23-16(14)19-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,18,19,22)/p+1