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

Systemtic Name: 5-(furan-2-yl)-2-piperazin-4-ium-1-yl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-5-(2-furyl)-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-(1-piperazin-4-iumyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(furan-2-yl)-2-piperazin-4-ium-1-yl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-5-(2-furyl)-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC=C2C4=CC=CO4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC=C2C4=CC=CO4

InChI

InChI=1S/C17H18N4O2S/c1-2-7-21-16(22)14-12(13-4-3-10-23-13)11-24-15(14)19-17(21)20-8-5-18-6-9-20/h2-4,10-11,18H,1,5-9H2/p+1