8-chloranyl-1,3-dimethyl-7-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione Openeye Name: 8-chloro-7-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C(C)C

InChI

InChI=1S/C19H23ClN4O3/c1-11(2)14-7-6-13(10-12(14)3)27-9-8-24-15-16(21-18(24)20)22(4)19(26)23(5)17(15)25/h6-7,10-11H,8-9H2,1-5H3