2-azanylidene-4-(1,3-benzodioxol-5-yl)-6-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4,5-dihydropyrimidine-3-carbonitrile

Systemtic Name: 2-azanylidene-4-(1,3-benzodioxol-5-yl)-6-(1-methyl-2-oxidanyl-4-oxidanylidene-3H-quinolin-1-ium-3-yl)-4,5-dihydropyrimidine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-1-methyl-4-oxo-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(2-hydroxy-4-keto-1-methyl-3H-quinolin-1-ium-3-yl)-2-imino-4,5-dihydropyrimidine-3-carbonitrile Formula: C22H18N5O4+ MolecularWeight: 416.40942

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=N)N(C(C3)C4=CC5=C(C=C4)OCO5)C#N)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=N)N(C(C3)C4=CC5=C(C=C4)OCO5)C#N)O

InChI

InChI=1S/C22H17N5O4/c1-26-15-5-3-2-4-13(15)20(28)19(21(26)29)14-9-16(27(10-23)22(24)25-14)12-6-7-17-18(8-12)31-11-30-17/h2-8,16,19,24H,9,11H2,1H3/p+1