2,3-dimethyl-5-oxidanylidene-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 2,3-dimethyl-5-oxidanylidene-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 2,3-dimethyl-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 2,3-dimethyl-5-oxo-N-phenethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 2,3-dimethyl-5-oxo-N-phenethyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-2,3-dimethyl-N-phenethyl-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:

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NCCC3=CC=CC=C3)C

InChI

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