7-[(2-bromophenyl)methyl]-8-chloranyl-1-methyl-3-prop-2-enyl-purine-2,6-dione

Systemtic Name: 7-[(2-bromophenyl)methyl]-8-chloranyl-1-methyl-3-prop-2-enyl-purine-2,6-dione Openeye Name: 3-allyl-7-[(2-bromophenyl)methyl]-8-chloro-1-methyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-chloro-1-methyl-3-prop-2-enylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-chloro-1-methyl-3-prop-2-enylpurine-2,6-dione Traditional Name: 3-allyl-7-(2-bromobenzyl)-8-chloro-1-methyl-xanthine Formula: C16H14BrClN4O2 MolecularWeight: 409.66496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Br)Cl)N(C1=O)CC=C

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Br)Cl)N(C1=O)CC=C

InChI

InChI=1S/C16H14BrClN4O2/c1-3-8-21-13-12(14(23)20(2)16(21)24)22(15(18)19-13)9-10-6-4-5-7-11(10)17/h3-7H,1,8-9H2,2H3