3-methyl-8-nitro-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-nitro-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-nitro-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-nitro-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-nitro-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-nitro-7-propyl-xanthine Formula: C9H11N5O4 MolecularWeight: 253.21474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C9H11N5O4/c1-3-4-13-5-6(10-8(13)14(17)18)12(2)9(16)11-7(5)15/h3-4H2,1-2H3,(H,11,15,16)