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

Systemtic Name: 8-bromanyl-1,3-diethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-bromo-1,3-diethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-diethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-bromo-1,3-diethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-bromo-1,3-diethyl-xanthine Formula: C12H15BrN4O2 MolecularWeight: 327.1771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)Br)CC=C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)Br)CC=C

InChI

InChI=1S/C12H15BrN4O2/c1-4-7-17-8-9(14-11(17)13)15(5-2)12(19)16(6-3)10(8)18/h4H,1,5-7H2,2-3H3