3-[(oxidanylamino)methylidene]-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[(oxidanylamino)methylidene]-2-(phenylmethylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-benzylsulfanyl-3-[(hydroxyamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[(hydroxyamino)methylidene]-2-(phenylmethylthio)-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-benzylsulfanyl-3-[(hydroxyamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(benzylthio)-3-[(hydroxyamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C16H14N3O2S+ MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=[N+]3C(=O)C2=CNO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=[N+]3C(=O)C2=CNO

InChI

InChI=1S/C16H13N3O2S/c20-16-13(10-17-21)15(18-14-8-4-5-9-19(14)16)22-11-12-6-2-1-3-7-12/h1-10,21H,11H2/p+1