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

Systemtic Name: 7-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C22H25N4O2S2+ MolecularWeight: 441.5895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)[N+]4=C(N3)SC=C4C

InChI

InChI=1S/C22H24N4O2S2/c1-3-4-5-8-11-25-20(28)17-9-6-7-10-18(17)24-21(25)30-14-16-12-19(27)26-15(2)13-29-22(26)23-16/h6-7,9-10,12-13H,3-5,8,11,14H2,1-2H3/p+1