7-(2-methoxyethyl)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[(7-methoxy-2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-1-[(2-keto-7-methoxy-chromen-4-yl)methyl]-7-(2-methoxyethyl)xanthine Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C26H24N4O6/c1-34-11-10-28-16-27-24-23(28)25(32)30(26(33)29(24)14-17-6-4-3-5-7-17)15-18-12-22(31)36-21-13-19(35-2)8-9-20(18)21/h3-9,12-13,16H,10-11,14-15H2,1-2H3