1,3-dimethyl-8-nitro-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-7-propyl-xanthine Formula: C10H13N5O4 MolecularWeight: 267.24132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H13N5O4/c1-4-5-14-6-7(11-9(14)15(18)19)12(2)10(17)13(3)8(6)16/h4-5H2,1-3H3