8-bromanyl-7-[(2R)-but-3-en-2-yl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2R)-but-3-en-2-yl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[(1R)-1-methylallyl]purine-2,6-dione CAS Name: 8-bromo-7-[(2R)-but-3-en-2-yl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2R)-but-3-en-2-yl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[(1R)-1-methylallyl]xanthine Formula: C10H11BrN4O2 MolecularWeight: 299.12394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

C[C@H](C=C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H11BrN4O2/c1-4-5(2)15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h4-5H,1H2,2-3H3,(H,13,16,17)/t5-/m1/s1