7-(4-chloranylbutyl)-3-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-(4-chloranylbutyl)-3-methyl-8-nitro-purine-2,6-dione Openeye Name: 7-(4-chlorobutyl)-3-methyl-8-nitro-purine-2,6-dione CAS Name: 7-(4-chlorobutyl)-3-methyl-8-nitropurine-2,6-dione IUPAC Name: 7-(4-chlorobutyl)-3-methyl-8-nitropurine-2,6-dione Traditional Name: 7-(4-chlorobutyl)-3-methyl-8-nitro-xanthine Formula: C10H12ClN5O4 MolecularWeight: 301.68638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)[N+](=O)[O-])CCCCCl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)[N+](=O)[O-])CCCCCl

InChI

InChI=1S/C10H12ClN5O4/c1-14-7-6(8(17)13-10(14)18)15(5-3-2-4-11)9(12-7)16(19)20/h2-5H2,1H3,(H,13,17,18)