3-methyl-7-(phthalazin-1-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 3-methyl-7-(phthalazin-1-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-(phthalazin-1-ylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[(1-phthalazinylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-(phthalazin-1-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(phthalazin-1-ylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H13N4OS2+ MolecularWeight: 341.43062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C16H12N4OS2/c1-10-8-23-16-18-12(6-14(21)20(10)16)9-22-15-13-5-3-2-4-11(13)7-17-19-15/h2-8H,9H2,1H3/p+1