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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

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