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

Systemtic Name: 8-(3-ethoxy-2-methoxy-phenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-ethoxy-2-methoxy-phenyl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 8-(3-ethoxy-2-methoxyphenyl)-3-(2-methoxyethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3-ethoxy-2-methoxyphenyl)-3-(2-methoxyethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-(3-ethoxy-2-methoxy-phenyl)-3-(2-methoxyethyl)xanthine Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC

Isomeric SMILES

CCOC1=CC=CC(=C1OC)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3CCOC

InChI

InChI=1S/C24H26N4O5/c1-4-33-18-12-8-11-17(20(18)32-3)21-25-22-19(28(21)15-16-9-6-5-7-10-16)23(29)26-24(30)27(22)13-14-31-2/h5-12H,4,13-15H2,1-3H3,(H,26,29,30)