8-chloranyl-1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(2-nitrophenyl)xanthine Formula: C13H10ClN5O4 MolecularWeight: 335.7026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5O4/c1-16-10-9(11(20)17(2)13(16)21)18(12(14)15-10)7-5-3-4-6-8(7)19(22)23/h3-6H,1-2H3