7-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-tert-butyl-2,6-dimethyl-benzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C)C(C)(C)C

InChI

InChI=1S/C20H25ClN4O2/c1-11-8-13(20(3,4)5)9-12(2)14(11)10-25-15-16(22-18(25)21)23(6)19(27)24(7)17(15)26/h8-9H,10H2,1-7H3