7-(2-chloroethyl)-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-(2-chloroethyl)-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-(2-chloroethyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(2-chloroethyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(2-chloroethyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(2-chloroethyl)-1,3-dimethyl-8-nitro-xanthine Formula: C9H10ClN5O4 MolecularWeight: 287.6598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCl

InChI

InChI=1S/C9H10ClN5O4/c1-12-6-5(7(16)13(2)9(12)17)14(4-3-10)8(11-6)15(18)19/h3-4H2,1-2H3