8-bromanyl-1,3-dimethyl-9-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]purine-2,6-dione Openeye Name: 8-bromo-9-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]purine-2,6-dione Traditional Name: 8-bromo-9-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]-1,3-dimethyl-xanthine Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C(C)C

InChI

InChI=1S/C19H23BrN4O3/c1-11(2)14-7-6-13(10-12(14)3)27-9-8-24-16-15(21-18(24)20)17(25)23(5)19(26)22(16)4/h6-7,10-11H,8-9H2,1-5H3