2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; 7H-purin-6-amine

Systemtic Name: 2-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; 7H-purin-6-amine Openeye Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thiazole-4-carboxamide; 7H-purin-6-amine CAS Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-thiazolecarboxamide; 7H-purin-6-amine IUPAC Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide; 7H-purin-6-amine Traditional Name: 7H-adenine; 2-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)thiazole-4-carboxamide Formula: C14H17N7O5S MolecularWeight: 395.39368

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C9H12N2O5S.C5H5N5/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7;6-4-3-5(9-1-7-3)10-2-8-4/h2,4-7,12-14H,1H2,(H2,10,15);1-2H,(H3,6,7,8,9,10)