N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide CAS Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide IUPAC Name: N-(3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(5-keto-3,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-9H-xanthene-9-carboxamide Formula: C22H18N3O3S+ MolecularWeight: 404.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C22H17N3O3S/c1-12-11-29-22-23-13(2)19(21(27)25(12)22)24-20(26)18-14-7-3-5-9-16(14)28-17-10-6-4-8-15(17)18/h3-11,18H,1-2H3,(H,24,26)/p+1