8-bromanyl-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-bromo-3,7-dimethyl-purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-bromo-3,7-dimethyl-xanthine Formula: C10H11BrN4O2 MolecularWeight: 299.12394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C10H11BrN4O2/c1-4-5-15-8(16)6-7(14(3)10(15)17)12-9(11)13(6)2/h4H,1,5H2,2-3H3