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

Systemtic Name: 1-[3-[2,6-bis(azanyl)purin-9-yl]-2-oxidanyl-propyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[3-(2,6-diaminopurin-9-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[3-(2,6-diamino-9-purinyl)-2-hydroxypropyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[3-(2,6-diaminopurin-9-yl)-2-hydroxypropyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[3-(2,6-diaminopurin-9-yl)-2-hydroxy-propyl]pyridin-1-ium-3-carboxamide chloride Formula: C14H17ClN8O2 MolecularWeight: 364.79018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2N=C(N=C3N)N)O)C(=O)N.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(CN2C=NC3=C2N=C(N=C3N)N)O)C(=O)N.[Cl-]

InChI

InChI=1S/C14H16N8O2.ClH/c15-11-10-13(20-14(17)19-11)22(7-18-10)6-9(23)5-21-3-1-2-8(4-21)12(16)24;/h1-4,7,9,23H,5-6H2,(H5-,15,16,17,19,20,24);1H