2-piperazin-4-ium-1-yl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-piperazin-4-ium-1-yl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-piperazin-4-iumyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-piperazin-4-ium-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4OS/c1-2-6-17-12(18)10-3-9-19-11(10)15-13(17)16-7-4-14-5-8-16/h2-3,9,14H,1,4-8H2/p+1