1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2-nitrophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-nitrobenzyl)-7H-purine-2,6-quinone Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4/c1-17-12-11(13(20)18(2)14(17)21)15-10(16-12)7-8-5-3-4-6-9(8)19(22)23/h3-6H,7H2,1-2H3,(H,15,16)