1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-7-(2-methoxyethyl)xanthine Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H26N4O5/c1-17-9-10-21-20(13-22(32)36-24(21)18(17)2)15-31-26(33)23-25(28-16-29(23)11-12-35-3)30(27(31)34)14-19-7-5-4-6-8-19/h4-10,13,16H,11-12,14-15H2,1-3H3