8-chloranyl-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[2-(2-methylphenoxy)ethyl]xanthine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H17ClN4O3/c1-10-6-4-5-7-11(10)24-9-8-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-7H,8-9H2,1-3H3