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

Systemtic Name: 7-[[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-methyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C26H25N4O2S2+ MolecularWeight: 489.6323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)SC=C5C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)[N+]5=C(N4)SC=C5C

InChI

InChI=1S/C26H24N4O2S2/c1-3-4-7-18-10-12-20(13-11-18)30-24(32)21-8-5-6-9-22(21)28-26(30)34-16-19-14-23(31)29-17(2)15-33-25(29)27-19/h5-6,8-15H,3-4,7,16H2,1-2H3/p+1