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

Systemtic Name: 3,5-dimethyl-4-oxidanylidene-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3,5-dimethyl-4-oxo-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3,5-dimethyl-4-oxo-2-(1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3,5-dimethyl-4-oxo-2-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3,5-dimethyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C13H18N5O2S+ MolecularWeight: 308.37932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-7-8-11(21-9(7)10(14)19)16-13(17(2)12(8)20)18-5-3-15-4-6-18/h15H,3-6H2,1-2H3,(H2,14,19)/p+1