1-[2-(6-aminopurin-9-yl)-3-oxidanyl-propyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(6-aminopurin-9-yl)-3-oxidanyl-propyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(6-aminopurin-9-yl)-3-hydroxy-propyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(6-aminopurin-9-yl)-3-hydroxypropyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(6-aminopurin-9-yl)-3-hydroxypropyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(2-adenin-9-yl-3-hydroxy-propyl)pyridin-1-ium-3-carboxamide Formula: C14H16N7O2+ MolecularWeight: 314.32254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(CO)N2C=NC3=C2N=CN=C3N)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(CO)N2C=NC3=C2N=CN=C3N)C(=O)N

InChI

InChI=1S/C14H15N7O2/c15-12-11-14(18-7-17-12)21(8-19-11)10(6-22)5-20-3-1-2-9(4-20)13(16)23/h1-4,7-8,10,22H,5-6H2,(H3-,15,16,17,18,23)/p+1