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

Systemtic Name: 3-butyl-8-[[(2-ethoxyphenyl)amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2-ethoxyanilino)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2-ethoxyanilino)methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2-ethoxyanilino)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(o-phenetidinomethyl)xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3OCC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3OCC)CC

InChI

InChI=1S/C20H27N5O3/c1-4-7-12-25-18-17(19(26)23-20(25)27)24(5-2)16(22-18)13-21-14-10-8-9-11-15(14)28-6-3/h8-11,21H,4-7,12-13H2,1-3H3,(H,23,26,27)