3-butyl-8-(3-ethoxy-2-methoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-ethoxy-2-methoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-8-(3-ethoxy-2-methoxy-phenyl)-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-8-(3-ethoxy-2-methoxyphenyl)-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-8-(3-ethoxy-2-methoxyphenyl)-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-8-(3-ethoxy-2-methoxy-phenyl)-7-(2-methoxyethyl)xanthine Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C(=CC=C3)OCC)OC)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=C(C(=CC=C3)OCC)OC)CCOC

InChI

InChI=1S/C21H28N4O5/c1-5-7-11-25-19-16(20(26)23-21(25)27)24(12-13-28-3)18(22-19)14-9-8-10-15(30-6-2)17(14)29-4/h8-10H,5-7,11-13H2,1-4H3,(H,23,26,27)