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

Systemtic Name: 3-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-(4-propyl-1-piperazin-4-iumyl)ethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-2-8-23-9-11-24(12-10-23)18(26)13-25-15-22-20-19(21(25)27)17(14-28-20)16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3/p+1