N-(furan-2-ylmethyl)-7H-purin-6-amine; 7H-purin-6-amine; sulfuric acid

Systemtic Name: N-(furan-2-ylmethyl)-7H-purin-6-amine; 7H-purin-6-amine; sulfuric acid Openeye Name: N-(2-furylmethyl)-7H-purin-6-amine; 7H-purin-6-amine; sulfuric acid CAS Name: N-(2-furanylmethyl)-7H-purin-6-amine; 7H-purin-6-amine; sulfuric acid IUPAC Name: N-(furan-2-ylmethyl)-7H-purin-6-amine; 7H-purin-6-amine; sulfuric acid Traditional Name: 7H-adenine; kinetin; sulfuric acid Formula: C15H16N10O5S MolecularWeight: 448.41654

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=NC3=C2NC=N3.C1=NC2=C(N1)C(=NC=N2)N.OS(=O)(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC=NC3=C2NC=N3.C1=NC2=C(N1)C(=NC=N2)N.OS(=O)(=O)O

InChI

InChI=1S/C10H9N5O.C5H5N5.H2O4S/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)