5,6-dimethyl-2-(piperazine-1,4-diium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(piperazine-1,4-diium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(piperazine-1,4-diium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(1-piperazine-1,4-diiumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(piperazine-1,4-diium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(piperazine-1,4-diium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C13H20N4OS+2 MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CC[NH2+]CC3)C

InChI

InChI=1S/C13H18N4OS/c1-8-9(2)19-13-11(8)12(18)15-10(16-13)7-17-5-3-14-4-6-17/h14H,3-7H2,1-2H3,(H,15,16,18)/p+2