8-(4-bromanylphenoxy)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(4-bromanylphenoxy)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(4-bromophenoxy)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-bromophenoxy)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(4-bromophenoxy)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(4-bromophenoxy)-7-isopropyl-1,3-dimethyl-xanthine Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17BrN4O3/c1-9(2)21-12-13(19(3)16(23)20(4)14(12)22)18-15(21)24-11-7-5-10(17)6-8-11/h5-9H,1-4H3