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

Systemtic Name: 3-butyl-1,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3-butyl-1,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3-butyl-1,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3-butyl-1,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3-butyl-1,7-dimethyl-8-nitro-xanthine Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C11H15N5O4/c1-4-5-6-15-8-7(9(17)14(3)11(15)18)13(2)10(12-8)16(19)20/h4-6H2,1-3H3