7-(2-methoxyethyl)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-1-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-7-(2-methoxyethyl)xanthine Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O4/c1-17-22(19-10-6-7-11-20(19)28-17)21(32)15-31-25(33)23-24(27-16-29(23)12-13-35-2)30(26(31)34)14-18-8-4-3-5-9-18/h3-11,16,28H,12-15H2,1-2H3