1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-propyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxypropyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxypropyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[3-(2-amino-6-keto-3H-purin-9-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H16ClN7O3 MolecularWeight: 365.77494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2NC(=NC3=O)N)O)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2NC(=NC3=O)N)O)C(=O)N.[Cl-]

InChI

InChI=1S/C14H15N7O3.ClH/c15-11(23)8-2-1-3-20(4-8)5-9(22)6-21-7-17-10-12(21)18-14(16)19-13(10)24;/h1-4,7,9,22H,5-6H2,(H4-,15,16,18,19,23,24);1H