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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCl)C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCl)C

InChI

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