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

Systemtic Name: 2,3-dimethyl-5-oxidanylidene-N-(phenylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-benzyl-2,3-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 2,3-dimethyl-5-oxo-N-(phenylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-benzyl-2,3-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-benzyl-5-keto-2,3-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=[N+]1C(=O)C(=CN2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C16H15N3O2S/c1-10-11(2)22-16-18-9-13(15(21)19(10)16)14(20)17-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,20)/p+1