3-methyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-4,5-dihydropurine-2,6-dione

Systemtic Name: 3-methyl-7-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-4,5-dihydropurine-2,6-dione Openeye Name: 3-methyl-7-[2-(4-nitrophenyl)-2-oxo-ethyl]-4,5-dihydropurine-2,6-dione CAS Name: 3-methyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-4,5-dihydropurine-2,6-dione IUPAC Name: 3-methyl-7-[2-(4-nitrophenyl)-2-oxoethyl]-4,5-dihydropurine-2,6-dione Traditional Name: 7-[2-keto-2-(4-nitrophenyl)ethyl]-3-methyl-4,5-dihydropurine-2,6-quinone Formula: C14H13N5O5 MolecularWeight: 331.28352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)NC1=O)N(C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2C(C(=O)NC1=O)N(C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O5/c1-17-12-11(13(21)16-14(17)22)18(7-15-12)6-10(20)8-2-4-9(5-3-8)19(23)24/h2-5,7,11-12H,6H2,1H3,(H,16,21,22)