8-bromanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-bromo-3-methyl-purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-bromo-3-methyl-xanthine Formula: C9H9BrN4O2 MolecularWeight: 285.09736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=C

InChI

InChI=1S/C9H9BrN4O2/c1-3-4-14-5-6(11-8(14)10)13(2)9(16)12-7(5)15/h3H,1,4H2,2H3,(H,12,15,16)