7-methyl-2-[(phenylmethyl)amino]-3-[(pyridin-3-ylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-methyl-2-[(phenylmethyl)amino]-3-[(pyridin-3-ylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(benzylamino)-7-methyl-3-[(3-pyridylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(phenylmethyl)amino]-3-[(3-pyridinylamino)methylidene]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(benzylamino)-7-methyl-3-[(pyridin-3-ylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(benzylamino)-7-methyl-3-[(3-pyridylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H20N5O+ MolecularWeight: 370.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)N=C(C(=CNC3=CN=CC=C3)C2=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C[N+]2=C(C=C1)N=C(C(=CNC3=CN=CC=C3)C2=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O/c1-16-9-10-20-26-21(25-12-17-6-3-2-4-7-17)19(22(28)27(20)15-16)14-24-18-8-5-11-23-13-18/h2-11,13-15H,12H2,1H3,(H,24,25,28)/p+1