5,7-dimethyl-3-(thiophen-2-ylmethyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one

Systemtic Name: 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one Openeye Name: 5,7-dimethyl-3-(2-thienylmethyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one CAS Name: 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one IUPAC Name: 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one Traditional Name: 5,7-dimethyl-3-(2-thenyl)-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-2-one Formula: C13H14N3OS+ MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)C(C(=O)N2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)C(C(=O)N2)CC3=CC=CS3)C

InChI

InChI=1S/C13H13N3OS/c1-8-6-9(2)16-12(14-8)11(13(17)15-16)7-10-4-3-5-18-10/h3-6,11H,7H2,1-2H3/p+1