7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-propyl-8-(3,4,5-trimethoxyphenyl)xanthine Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C(=C3)OC)OC)OC)CCOC

InChI

InChI=1S/C20H26N4O6/c1-6-7-24-18-15(19(25)22-20(24)26)23(8-9-27-2)17(21-18)12-10-13(28-3)16(30-5)14(11-12)29-4/h10-11H,6-9H2,1-5H3,(H,22,25,26)