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

Systemtic Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[[butyl(ethyl)amino]methyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[butyl(ethyl)amino]methyl]-3-methyl-xanthine Formula: C18H31N5O2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC)CCCC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC)CCCC

InChI

InChI=1S/C18H31N5O2/c1-5-8-10-12-23-14(13-22(7-3)11-9-6-2)19-16-15(23)17(24)20-18(25)21(16)4/h5-13H2,1-4H3,(H,20,24,25)