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

Systemtic Name: 7-(2-methoxyethyl)-1-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[(7-methyl-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[(7-methyl-2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-1-[(2-keto-7-methyl-chromen-4-yl)methyl]-7-(2-methoxyethyl)xanthine Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O5/c1-17-8-9-20-19(13-22(31)35-21(20)12-17)15-30-25(32)23-24(27-16-28(23)10-11-34-2)29(26(30)33)14-18-6-4-3-5-7-18/h3-9,12-13,16H,10-11,14-15H2,1-2H3