7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]xanthine Formula: C15H19N7O4S MolecularWeight: 393.42086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCN3C(=NC=C3[N+](=O)[O-])C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCCN3C(=NC=C3[N+](=O)[O-])C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H19N7O4S/c1-5-20-11-12(18(3)15(24)19(4)13(11)23)17-14(20)27-7-6-21-9(2)16-8-10(21)22(25)26/h8H,5-7H2,1-4H3