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

Systemtic Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[3-(6-aminopurin-9-yl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[3-(6-aminopurin-9-yl)propyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(3-adenin-9-ylpropyl)pyridin-1-ium-3-carboxamide Formula: C14H16N7O+ MolecularWeight: 298.32314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O/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)/p+1