3-[(furan-2-ylmethylamino)methylidene]-9-methyl-2-[(4-nitrophenyl)amino]pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[(furan-2-ylmethylamino)methylidene]-9-methyl-2-[(4-nitrophenyl)amino]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-[(2-furylmethylamino)methylene]-9-methyl-2-(4-nitroanilino)pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[(2-furanylmethylamino)methylidene]-9-methyl-2-(4-nitroanilino)-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 3-[(furan-2-ylmethylamino)methylidene]-9-methyl-2-(4-nitroanilino)pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-[(2-furfurylamino)methylene]-9-methyl-2-(4-nitroanilino)pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H18N5O4+ MolecularWeight: 404.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNCC3=CC=CO3)C(=O)[N+]2=CC=C1)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2N=C(C(=CNCC3=CC=CO3)C(=O)[N+]2=CC=C1)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-14-4-2-10-25-20(14)24-19(23-15-6-8-16(9-7-15)26(28)29)18(21(25)27)13-22-12-17-5-3-11-30-17/h2-11,13H,12H2,1H3,(H,22,23,27)/p+1