8-bromanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C15H15BrN4O3 MolecularWeight: 379.2086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C15H15BrN4O3/c1-19-12-11(13(21)18-15(19)22)20(14(16)17-12)8-7-9-3-5-10(23-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,18,21,22)