N-(2-methylpropyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-oxidanylidene-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-isobutyl-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(2-methylpropyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(2-methylpropyl)-5-oxo-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-isobutyl-5-keto-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-11(2)8-18-15(21)13-9-19-17-20(16(13)22)14(10-23-17)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,18,21)/p+1