5,6-dimethyl-3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-oxo-2-(4-propyl-1-piperazin-4-iumyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

InChI

InChI=1S/C17H24N4O2S/c1-4-5-19-6-8-20(9-7-19)14(22)10-21-11-18-16-15(17(21)23)12(2)13(3)24-16/h11H,4-10H2,1-3H3/p+1