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

Systemtic Name: 7-butyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-butyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-purine-2,6-dione CAS Name: 7-butyl-8-[[butyl(ethyl)amino]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-8-[[butyl(ethyl)amino]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-butyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-xanthine Formula: C17H29N5O2 MolecularWeight: 335.44446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC)CCCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC)CCCC

InChI

InChI=1S/C17H29N5O2/c1-5-8-10-21(7-3)12-13-18-15-14(22(13)11-9-6-2)16(23)19-17(24)20(15)4/h5-12H2,1-4H3,(H,19,23,24)