(2E,4E)-5-[[5-chloranyl-6-phenylazanyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]amino]penta-2,4-dienal hydroxide

Systemtic Name: (2E,4E)-5-[[5-chloranyl-6-phenylazanyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]amino]penta-2,4-dienal hydroxide Openeye Name: (2E,4E)-5-[[6-anilino-5-chloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-yl]amino]penta-2,4-dienal hydroxide CAS Name: (2E,4E)-5-[[6-anilino-5-chloro-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)-4-pyrimidinyl]amino]penta-2,4-dienal hydroxide IUPAC Name: (2E,4E)-5-[[6-anilino-5-chloro-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-yl]amino]penta-2,4-dienal hydroxide Traditional Name: (2E,4E)-5-[[6-anilino-5-chloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-yl]amino]penta-2,4-dienal hydroxide Formula: C25H21ClN6O2 MolecularWeight: 472.92624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)NC=CC=CC=O)Cl.[OH-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)N/C=C/C=C/C=O)Cl.[OH-]

InChI

InChI=1S/C25H19ClN6O.H2O/c26-22-23(28-13-5-2-6-18-33)30-25(31-24(22)29-21-7-3-1-4-8-21)32-16-11-20(12-17-32)19-9-14-27-15-10-19;/h1-18H,(H-,28,29,30,31,33);1H2