8-bromanyl-1-ethyl-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1-ethyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-bromo-1-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1-ethyl-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-bromo-1-ethyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-bromo-1-ethyl-3-methyl-xanthine Formula: C15H15BrN4O2 MolecularWeight: 363.2092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)Br)N(C1=O)C

InChI

InChI=1S/C15H15BrN4O2/c1-3-19-13(21)11-12(18(2)15(19)22)17-14(16)20(11)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3