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

Systemtic Name: 3-methyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[(4-quinazolinylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-(quinazolin-4-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[(quinazolin-4-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=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSC3=NC=NC4=CC=CC=C43

InChI

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