3-ethyl-5-methyl-4-oxidanylidene-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-ethyl-5-methyl-4-oxidanylidene-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-ethyl-5-methyl-4-oxo-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-ethyl-5-methyl-4-oxo-2-(1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-ethyl-5-methyl-4-oxo-2-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-ethyl-4-keto-5-methyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC(=C2C)C(=O)N

Isomeric SMILES

CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC(=C2C)C(=O)N

InChI

InChI=1S/C14H19N5O2S/c1-3-19-13(21)9-8(2)10(11(15)20)22-12(9)17-14(19)18-6-4-16-5-7-18/h16H,3-7H2,1-2H3,(H2,15,20)/p+1