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

Systemtic Name: 1,3-dimethyl-8-nitro-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-7-phenethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-7-phenethyl-xanthine Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O4/c1-17-12-11(13(21)18(2)15(17)22)19(14(16-12)20(23)24)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3