7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C14H12ClN5O4 MolecularWeight: 349.72918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O4/c1-17-11-10(12(21)18(2)14(17)22)19(13(16-11)20(23)24)7-8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3