6-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridine-2-carboxamide; 7H-purin-6-amine

Systemtic Name: 6-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridine-2-carboxamide; 7H-purin-6-amine Openeye Name: 6-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2-carboxamide; 7H-purin-6-amine CAS Name: 6-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyridinecarboxamide; 7H-purin-6-amine IUPAC Name: 6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide; 7H-purin-6-amine Traditional Name: 7H-adenine; 6-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)picolinamide Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)C2C(C(C(O2)CO)O)O)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CC(=NC(=C1)C2C(C(C(O2)CO)O)O)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C11H14N2O5.C5H5N5/c12-11(17)6-3-1-2-5(13-6)10-9(16)8(15)7(4-14)18-10;6-4-3-5(9-1-7-3)10-2-8-4/h1-3,7-10,14-16H,4H2,(H2,12,17);1-2H,(H3,6,7,8,9,10)