9-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[(4-tert-butylphenyl)methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[(4-tert-butylphenyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 9-(4-tert-butylbenzyl)-8-chloro-1,3-dimethyl-xanthine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Cl

InChI

InChI=1S/C18H21ClN4O2/c1-18(2,3)12-8-6-11(7-9-12)10-23-14-13(20-16(23)19)15(24)22(5)17(25)21(14)4/h6-9H,10H2,1-5H3