5-methyl-6-piperazin-4-ium-1-ylcarbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-methyl-6-piperazin-4-ium-1-ylcarbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-6-(piperazin-4-ium-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[oxo(1-piperazin-4-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-methyl-6-(piperazin-4-ium-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-methyl-6-(piperazin-4-ium-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C12H15N4O2S+ MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC=N2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C12H14N4O2S/c1-7-8-10(17)14-6-15-11(8)19-9(7)12(18)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3,(H,14,15,17)/p+1