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

Systemtic Name: 3-ethyl-5-methyl-6-piperazin-4-ium-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5-methyl-6-[oxo(1-piperazin-4-iumyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-5-methyl-6-(piperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C14H18N4O2S/c1-3-17-8-16-12-10(13(17)19)9(2)11(21-12)14(20)18-6-4-15-5-7-18/h8,15H,3-7H2,1-2H3/p+1