8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[[butyl(ethyl)amino]methyl]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCN(CC)CC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H27N5O3/c1-5-7-8-20(6-2)11-12-17-14-13(21(12)9-10-24-4)15(22)18-16(23)19(14)3/h5-11H2,1-4H3,(H,18,22,23)