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

Systemtic Name: (2E,4E)-5-[(5-chloranyl-6-phenylazanyl-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Openeye Name: (2E,4E)-5-[(6-anilino-5-chloro-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide CAS Name: (2E,4E)-5-[[6-anilino-5-chloro-2-(1-pyridin-1-iumyl)-4-pyrimidinyl]amino]penta-2,4-dienal hydroxide IUPAC Name: (2E,4E)-5-[(6-anilino-5-chloro-2-pyridin-1-ium-1-ylpyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Traditional Name: (2E,4E)-5-[(6-anilino-5-chloro-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5O.H2O/c21-17-18(22-12-6-2-9-15-27)24-20(26-13-7-3-8-14-26)25-19(17)23-16-10-4-1-5-11-16;/h1-15H,(H-,22,23,24,25,27);1H2