1-ethyl-3-(2-methoxyphenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 1-ethyl-3-(2-methoxyphenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 1-ethyl-3-(2-methoxyphenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 1-ethyl-3-(2-methoxyphenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 1-ethyl-3-(2-methoxyphenyl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 1-ethyl-3-(2-methoxyphenyl)-7-(4-nitrobenzyl)xanthine Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4OC

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)C4=CC=CC=C4OC

InChI

InChI=1S/C21H19N5O5/c1-3-24-20(27)18-19(25(21(24)28)16-6-4-5-7-17(16)31-2)22-13-23(18)12-14-8-10-15(11-9-14)26(29)30/h4-11,13H,3,12H2,1-2H3