9-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(4-tert-butyl-2,6-dimethyl-benzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C20H25N5O4/c1-11-8-13(20(3,4)5)9-12(2)14(11)10-24-16-15(21-18(24)25(28)29)17(26)23(7)19(27)22(16)6/h8-9H,10H2,1-7H3