tert-butyl 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(cyclopropylmethyl)-2-ethoxy-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=CN2CC4CC4

Isomeric SMILES

CCOC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=CN2CC4CC4

InChI

InChI=1S/C20H32N6O3/c1-5-28-18-22-17-16(21-14-24(17)12-15-6-7-15)13-26(18)25-10-8-23(9-11-25)19(27)29-20(2,3)4/h14-15H,5-13H2,1-4H3