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

Systemtic Name: 8-(2-chloranylphenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C20H16ClN5O5 MolecularWeight: 441.82454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Cl)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN5O5/c1-23-17-16(18(27)24(2)20(23)28)25(11-12-7-9-13(10-8-12)26(29)30)19(22-17)31-15-6-4-3-5-14(15)21/h3-10H,11H2,1-2H3