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

Systemtic Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(4-tert-butylphenoxy)-1,3-dimethyl-7-(4-nitrobenzyl)xanthine Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H25N5O5/c1-24(2,3)16-8-12-18(13-9-16)34-22-25-20-19(21(30)27(5)23(31)26(20)4)28(22)14-15-6-10-17(11-7-15)29(32)33/h6-13H,14H2,1-5H3