1-[4-(6-aminopurin-9-yl)-2-(hydroxymethyl)butyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[4-(6-aminopurin-9-yl)-2-(hydroxymethyl)butyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[4-(6-aminopurin-9-yl)-2-(hydroxymethyl)butyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[4-(6-aminopurin-9-yl)-2-(hydroxymethyl)butyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[4-(6-aminopurin-9-yl)-2-(hydroxymethyl)butyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-(4-adenin-9-yl-2-methylol-butyl)pyridin-1-ium-3-carboxamide chloride Formula: C16H20ClN7O2 MolecularWeight: 377.8287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CCN2C=NC3=C2N=CN=C3N)CO)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(CCN2C=NC3=C2N=CN=C3N)CO)C(=O)N.[Cl-]

InChI

InChI=1S/C16H19N7O2.ClH/c17-14-13-16(20-9-19-14)23(10-21-13)5-3-11(8-24)6-22-4-1-2-12(7-22)15(18)25;/h1-2,4,7,9-11,24H,3,5-6,8H2,(H3-,17,18,19,20,25);1H