2-[(4-methylphenyl)amino]-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-methylphenyl)amino]-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(4-methylanilino)-3-[(3-pyridylmethylamino)methylene]pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-(4-methylanilino)-3-[(3-pyridinylmethylamino)methylidene]-4-pyrido[1,2-a]pyrimidin-5-iumone IUPAC Name: 2-(4-methylanilino)-3-[(pyridin-3-ylmethylamino)methylidene]pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-(p-toluidino)-3-[(3-pyridylmethylamino)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=CC=C(C=C1)NC2=NC3=CC=CC=[N+]3C(=O)C2=CNCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=CC=CC=[N+]3C(=O)C2=CNCC4=CN=CC=C4

InChI

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