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

Systemtic Name: (2E,4E)-5-[(6-azanyl-5-chloranyl-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Openeye Name: (2E,4E)-5-[(6-amino-5-chloro-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide CAS Name: (2E,4E)-5-[[6-amino-5-chloro-2-(1-pyridin-1-iumyl)-4-pyrimidinyl]amino]penta-2,4-dienal hydroxide IUPAC Name: (2E,4E)-5-[(6-amino-5-chloro-2-pyridin-1-ium-1-ylpyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Traditional Name: (2E,4E)-5-[(6-amino-5-chloro-2-pyridin-1-ium-1-yl-pyrimidin-4-yl)amino]penta-2,4-dienal hydroxide Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=NC(=C(C(=N2)NC=CC=CC=O)Cl)N.[OH-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=NC(=C(C(=N2)N/C=C/C=C/C=O)Cl)N.[OH-]

InChI

InChI=1S/C14H12ClN5O.H2O/c15-11-12(16)18-14(20-8-4-2-5-9-20)19-13(11)17-7-3-1-6-10-21;/h1-10H,(H2-,16,17,18,19,21);1H2