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

Systemtic Name: 3-[(furan-2-ylmethylamino)methylidene]-9-methyl-2-[(phenylmethyl)amino]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(benzylamino)-3-[(2-furylmethylamino)methylene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[(2-furanylmethylamino)methylidene]-9-methyl-2-[(phenylmethyl)amino]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(benzylamino)-3-[(furan-2-ylmethylamino)methylidene]-9-methylpyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(benzylamino)-3-[(2-furfurylamino)methylene]-9-methyl-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H21N4O2+ MolecularWeight: 373.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N=C(C(=CNCC3=CC=CO3)C(=O)[N+]2=CC=C1)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C2N=C(C(=CNCC3=CC=CO3)C(=O)[N+]2=CC=C1)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c1-16-7-5-11-26-21(16)25-20(24-13-17-8-3-2-4-9-17)19(22(26)27)15-23-14-18-10-6-12-28-18/h2-12,15H,13-14H2,1H3,(H,23,24,27)/p+1