[4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid

Systemtic Name: [4-[2-azanyl-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid Openeye Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid CAS Name: [4-[2-amino-6-(cyclopropylamino)-9-purinyl]-1-cyclopent-2-enyl]methanol; sulfuric acid IUPAC Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid Traditional Name: [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol; sulfuric acid Formula: C28H38N12O6S MolecularWeight: 670.74312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O

InChI

InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)