1-[(2R,3R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)butyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R,3R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)butyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-butyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(2R,3R)-4-adenin-9-yl-2,3-dihydroxy-butyl]pyridin-1-ium-3-carboxamide Formula: C15H18N7O3+ MolecularWeight: 344.34852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(C(CN2C=NC3=C2N=CN=C3N)O)O)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C[C@H]([C@@H](CN2C=NC3=C2N=CN=C3N)O)O)C(=O)N

InChI

InChI=1S/C15H17N7O3/c16-13-12-15(19-7-18-13)22(8-20-12)6-11(24)10(23)5-21-3-1-2-9(4-21)14(17)25/h1-4,7-8,10-11,23-24H,5-6H2,(H3-,16,17,18,19,25)/p+1/t10-,11-/m1/s1