2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-phenylmethoxyphenyl)purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(2-phenylmethoxyphenyl)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[7-(2-benzyloxyphenyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-7-(2-phenylmethoxyphenyl)-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-7-(2-phenylmethoxyphenyl)purin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[7-(2-benzoxyphenyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C25H26N6O5 MolecularWeight: 490.51114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3CNCCN3C(=O)O)C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O5/c1-28-22-20(23(32)29(2)24(28)33)31(21(27-22)18-14-26-12-13-30(18)25(34)35)17-10-6-7-11-19(17)36-15-16-8-4-3-5-9-16/h3-11,18,26H,12-15H2,1-2H3,(H,34,35)