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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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