1-(5-bromanylpentyl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-(5-bromanylpentyl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-(5-bromopentyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(5-bromopentyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(5-bromopentyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(5-bromopentyl)-3-methyl-7-propyl-xanthine Formula: C14H21BrN4O2 MolecularWeight: 357.24614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCBr

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCBr

InChI

InChI=1S/C14H21BrN4O2/c1-3-8-18-10-16-12-11(18)13(20)19(14(21)17(12)2)9-6-4-5-7-15/h10H,3-9H2,1-2H3