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

Systemtic Name: 5-(furan-2-yl)-3-methyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-3-methyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-3-methyl-2-(1-piperazin-4-iumyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(furan-2-yl)-3-methyl-2-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-3-methyl-2-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidin-4-one Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC=C2C4=CC=CO4

Isomeric SMILES

CN1C(=O)C2=C(N=C1N3CC[NH2+]CC3)SC=C2C4=CC=CO4

InChI

InChI=1S/C15H16N4O2S/c1-18-14(20)12-10(11-3-2-8-21-11)9-22-13(12)17-15(18)19-6-4-16-5-7-19/h2-3,8-9,16H,4-7H2,1H3/p+1