8-azanyl-7-[2-(4-bromophenyl)ethanoyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-[2-(4-bromophenyl)ethanoyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-amino-7-[2-(4-bromophenyl)acetyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-amino-7-[2-(4-bromophenyl)-1-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-amino-7-[2-(4-bromophenyl)acetyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-amino-7-[2-(4-bromophenyl)acetyl]-1,3-dimethyl-xanthine Formula: C15H14BrN5O3 MolecularWeight: 392.20736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H14BrN5O3/c1-19-12-11(13(23)20(2)15(19)24)21(14(17)18-12)10(22)7-8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H2,17,18)