tert-butyl 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-oxo-ethoxy)-1-methyl-6-oxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-oxoethoxy)-1-methyl-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-oxoethoxy)-1-methyl-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(2-chlorophenyl)-2-(2-ethoxy-2-keto-ethoxy)-6-keto-1-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31ClN6O6 MolecularWeight: 547.00324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)COC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H31ClN6O6/c1-6-36-18(33)15-37-23-28-20-19(21(34)29(23)5)32(17-10-8-7-9-16(17)26)22(27-20)30-11-13-31(14-12-30)24(35)38-25(2,3)4/h7-10H,6,11-15H2,1-5H3