1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide bromide trihydrate

Systemtic Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide bromide trihydrate Openeye Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide bromide trihydrate CAS Name: 1-[3-(6-aminopurin-9-yl)propyl]-3-pyridin-1-iumcarboxamide bromide trihydrate IUPAC Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide bromide trihydrate Traditional Name: 1-(3-adenin-9-ylpropyl)pyridin-1-ium-3-carboxamide bromide trihydrate Formula: C14H22BrN7O4 MolecularWeight: 432.27298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCN2C=NC3=C2N=CN=C3N)C(=O)N.O.O.O.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCN2C=NC3=C2N=CN=C3N)C(=O)N.O.O.O.[Br-]

InChI

InChI=1S/C14H15N7O.BrH.3H2O/c15-12-11-14(18-8-17-12)21(9-19-11)6-2-5-20-4-1-3-10(7-20)13(16)22;;;;/h1,3-4,7-9H,2,5-6H2,(H3-,15,16,17,18,22);1H;3*1H2