7-[(2-methylquinazolin-4-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(2-methylquinazolin-4-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(2-methylquinazolin-4-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(2-methyl-4-quinazolinyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(2-methylquinazolin-4-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(2-methylquinazolin-4-yl)thio]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=NC2=CC=CC=C2C(=N1)SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

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