3-butyl-7-(3,4-dimethoxyphenoxy)purine-2,6-dione

Systemtic Name: 3-butyl-7-(3,4-dimethoxyphenoxy)purine-2,6-dione Openeye Name: 3-butyl-7-(3,4-dimethoxyphenoxy)purine-2,6-dione CAS Name: 3-butyl-7-(3,4-dimethoxyphenoxy)purine-2,6-dione IUPAC Name: 3-butyl-7-(3,4-dimethoxyphenoxy)purine-2,6-dione Traditional Name: 3-butyl-7-(3,4-dimethoxyphenoxy)xanthine Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)OC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)OC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H20N4O5/c1-4-5-8-20-15-14(16(22)19-17(20)23)21(10-18-15)26-11-6-7-12(24-2)13(9-11)25-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,22,23)