8-bromanyl-1-[(E)-3-chloranylbut-2-enyl]-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1-[(E)-3-chloranylbut-2-enyl]-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-1-[(E)-3-chlorobut-2-enyl]-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1-[(E)-3-chlorobut-2-enyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-1-[(E)-3-chlorobut-2-enyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-1-[(E)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C17H15BrCl2N4O2 MolecularWeight: 458.1366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C)Cl

Isomeric SMILES

C/C(=C\CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C)/Cl

InChI

InChI=1S/C17H15BrCl2N4O2/c1-10(19)7-8-23-15(25)13-14(22(2)17(23)26)21-16(18)24(13)9-11-5-3-4-6-12(11)20/h3-7H,8-9H2,1-2H3/b10-7+