8-(3-bromanyl-4-methoxy-phenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-methoxy-phenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3-bromo-4-methoxy-phenyl)-3-butyl-7-isobutyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-methoxyphenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3-bromo-4-methoxyphenyl)-3-butyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3-bromo-4-methoxy-phenyl)-3-butyl-7-isobutyl-xanthine Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CC(C)C

InChI

InChI=1S/C20H25BrN4O3/c1-5-6-9-24-18-16(19(26)23-20(24)27)25(11-12(2)3)17(22-18)13-7-8-15(28-4)14(21)10-13/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,23,26,27)