8-bromanyl-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenoxy)ethyl]xanthine Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H17BrN4O3/c1-10-4-6-11(7-5-10)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