2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-1H-quinazolin-3-ium-4-one Openeye Name: 2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-1H-quinazolin-3-ium-4-one CAS Name: 2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-1H-quinazolin-3-ium-4-one IUPAC Name: 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinazolin-3-ium-4-one Traditional Name: 2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-1H-quinazolin-3-ium-4-one Formula: C17H15N4O2+ MolecularWeight: 307.3266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=[NH+]C(=O)C4=CC=CC=C4N3)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=[NH+]C(=O)C4=CC=CC=C4N3)N(C1=O)C

InChI

InChI=1S/C17H14N4O2/c1-20-13-8-7-10(9-14(13)21(2)17(20)23)15-18-12-6-4-3-5-11(12)16(22)19-15/h3-9H,1-2H3,(H,18,19,22)/p+1