3-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxy-phenyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(4-benzyloxy-3-methoxy-phenyl)-3-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxyphenyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-(3-methoxy-4-phenylmethoxyphenyl)purine-2,6-dione Traditional Name: 8-(4-benzoxy-3-methoxy-phenyl)-7-benzyl-3-(2-methoxyethyl)xanthine Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O5/c1-36-16-15-32-27-25(28(34)31-29(32)35)33(18-20-9-5-3-6-10-20)26(30-27)22-13-14-23(24(17-22)37-2)38-19-21-11-7-4-8-12-21/h3-14,17H,15-16,18-19H2,1-2H3,(H,31,34,35)