3-butyl-8-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-7-methyl-xanthine Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H26ClN5O3/c1-4-5-10-26-18-17(19(27)23-20(26)28)25(3)16(22-18)13-24(2)11-12-29-15-8-6-14(21)7-9-15/h6-9H,4-5,10-13H2,1-3H3,(H,23,27,28)