tert-butyl 4-[2-(2-aminocarbonylphenoxy)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-aminocarbonylphenoxy)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-2-(2-carbamoylphenoxy)-1-methyl-6-oxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-2-(2-carbamoylphenoxy)-1-methyl-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-2-(2-carbamoylphenoxy)-1-methyl-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-2-(2-carbamoylphenoxy)-6-keto-1-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31N7O5 MolecularWeight: 521.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C26H31N7O5/c1-6-7-12-33-19-21(28-23(33)31-13-15-32(16-14-31)25(36)38-26(2,3)4)29-24(30(5)22(19)35)37-18-11-9-8-10-17(18)20(27)34/h8-11H,12-16H2,1-5H3,(H2,27,34)