2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]guanidine sulfate

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]guanidine sulfate Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]guanidine sulfate CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]guanidine sulfate IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]guanidine sulfate Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]guanidine sulfate Formula: C20H30N14O8S-2 MolecularWeight: 626.6062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(N)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(N)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H15N7O2.H2O4S/c2*1-15-7-6(8(18)16(2)10(15)19)17(5-14-7)4-3-13-9(11)12;1-5(2,3)4/h2*5H,3-4H2,1-2H3,(H4,11,12,13);(H2,1,2,3,4)/p-2