1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(4-nitrophenyl)ethyl]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)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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