8-chloranyl-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[3-(3,5-dimethylphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C18H21ClN4O3/c1-11-8-12(2)10-13(9-11)26-7-5-6-23-14-15(20-17(23)19)21(3)18(25)22(4)16(14)24/h8-10H,5-7H2,1-4H3