8-(2-bromophenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(2-bromophenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(2-bromophenyl)-3-butyl-7-isobutyl-purine-2,6-dione CAS Name: 8-(2-bromophenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(2-bromophenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(2-bromophenyl)-3-butyl-7-isobutyl-xanthine Formula: C19H23BrN4O2 MolecularWeight: 419.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3Br)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3Br)CC(C)C

InChI

InChI=1S/C19H23BrN4O2/c1-4-5-10-23-17-15(18(25)22-19(23)26)24(11-12(2)3)16(21-17)13-8-6-7-9-14(13)20/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,25,26)