8-bromanyl-1,3-dimethyl-7-[(4-prop-2-enoxyphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[(4-prop-2-enoxyphenyl)methyl]purine-2,6-dione Openeye Name: 7-[(4-allyloxyphenyl)methyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[(4-prop-2-enoxyphenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[(4-prop-2-enoxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-(4-allyloxybenzyl)-8-bromo-1,3-dimethyl-xanthine Formula: C17H17BrN4O3 MolecularWeight: 405.24588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C17H17BrN4O3/c1-4-9-25-12-7-5-11(6-8-12)10-22-13-14(19-16(22)18)20(2)17(24)21(3)15(13)23/h4-8H,1,9-10H2,2-3H3