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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2-(1-ethoxycarbonylcyclopropyl)oxy-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-2-(1-ethoxycarbonylcyclopropoxy)-1-methyl-6-oxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-2-(1-ethoxycarbonylcyclopropyl)oxy-1-methyl-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-2-(1-ethoxycarbonylcyclopropyl)oxy-1-methyl-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-2-(1-carbethoxycyclopropoxy)-6-keto-1-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H34N6O6 MolecularWeight: 514.57406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCN(CC4)C(=O)OC(C)(C)C)CC#CC

Isomeric SMILES

CCOC(=O)C1(CC1)OC2=NC3=C(C(=O)N2C)N(C(=N3)N4CCN(CC4)C(=O)OC(C)(C)C)CC#CC

InChI

InChI=1S/C25H34N6O6/c1-7-9-12-31-17-18(26-21(31)29-13-15-30(16-14-29)23(34)37-24(3,4)5)27-22(28(6)19(17)32)36-25(10-11-25)20(33)35-8-2/h8,10-16H2,1-6H3