7-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-tert-butylphenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-tert-butylphenyl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-tert-butylphenyl)-2-keto-ethyl]-8-chloro-1,3-dimethyl-xanthine Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H21ClN4O3/c1-19(2,3)12-8-6-11(7-9-12)13(25)10-24-14-15(21-17(24)20)22(4)18(27)23(5)16(14)26/h6-9H,10H2,1-5H3