2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(3-azanylpropylsulfanyl)oxolane-3,4-diol; sulfuric acid

Systemtic Name: 2-(6-azanyl-2-chloranyl-purin-9-yl)-5-(3-azanylpropylsulfanyl)oxolane-3,4-diol; sulfuric acid Openeye Name: 2-(6-amino-2-chloro-purin-9-yl)-5-(3-aminopropylsulfanyl)tetrahydrofuran-3,4-diol; sulfuric acid CAS Name: 2-(6-amino-2-chloro-9-purinyl)-5-(3-aminopropylthio)oxolane-3,4-diol; sulfuric acid IUPAC Name: 2-(6-amino-2-chloropurin-9-yl)-5-(3-aminopropylsulfanyl)oxolane-3,4-diol; sulfuric acid Traditional Name: 2-(6-amino-2-chloro-purin-9-yl)-5-(3-aminopropylthio)tetrahydrofuran-3,4-diol; sulfuric acid Formula: C12H19ClN6O7S2 MolecularWeight: 458.89826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)SCCCN)O)O)N=C(N=C2N)Cl.OS(=O)(=O)O

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)SCCCN)O)O)N=C(N=C2N)Cl.OS(=O)(=O)O

InChI

InChI=1S/C12H17ClN6O3S.H2O4S/c13-12-17-8(15)5-9(18-12)19(4-16-5)10-6(20)7(21)11(22-10)23-3-1-2-14;1-5(2,3)4/h4,6-7,10-11,20-21H,1-3,14H2,(H2,15,17,18);(H2,1,2,3,4)