2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H22N4OS+2 MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H20N4OS/c1-21-7-9-22(10-8-21)12-16-19-17(23)14-11-15(24-18(14)20-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,19,20,23)/p+2