8-(5-bromanyl-2-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 8-(5-bromo-2-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-3-butyl-7-methylpurine-2,6-dione IUPAC Name: 8-(5-bromo-2-methoxyphenyl)-3-butyl-7-methylpurine-2,6-dione Traditional Name: 8-(5-bromo-2-methoxy-phenyl)-3-butyl-7-methyl-xanthine Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN4O3/c1-4-5-8-22-15-13(16(23)20-17(22)24)21(2)14(19-15)11-9-10(18)6-7-12(11)25-3/h6-7,9H,4-5,8H2,1-3H3,(H,20,23,24)