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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-isopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-(2-keto-2-p-cumenyl-ethyl)-1,3-dimethyl-xanthine Formula: C18H19ClN4O3 MolecularWeight: 374.82146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c1-10(2)11-5-7-12(8-6-11)13(24)9-23-14-15(20-17(23)19)21(3)18(26)22(4)16(14)25/h5-8,10H,9H2,1-4H3