6-ethyl-3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-(3-oxo-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-(3-oxo-3-piperazin-4-ium-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-(3-keto-3-piperazin-4-ium-1-yl-propyl)thieno[2,3-d]pyrimidin-4-one Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CCC(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CCC(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C15H20N4O2S/c1-2-11-9-12-14(22-11)17-10-19(15(12)21)6-3-13(20)18-7-4-16-5-8-18/h9-10,16H,2-8H2,1H3/p+1