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

Systemtic Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-12-14(13-6-4-3-5-7-13)15-16(23)19-18(20-17(15)24-12)22-10-8-21(2)9-11-22/h3-7H,8-11H2,1-2H3,(H,19,20,23)/p+1