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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2C)[N+](=O)[O-])N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2C)[N+](=O)[O-])N(C1=O)C

InChI

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