9-[[2,6-bis(chloranyl)phenyl]methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[[2,6-bis(chloranyl)phenyl]methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(2,6-dichlorobenzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C14H11Cl2N5O4 MolecularWeight: 384.17424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=C(C=CC=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11Cl2N5O4/c1-18-11-10(12(22)19(2)14(18)23)17-13(21(24)25)20(11)6-7-8(15)4-3-5-9(7)16/h3-5H,6H2,1-2H3