tert-butyl 4-[2-(6-aminopurin-9-yl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(6-aminopurin-9-yl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-aminopurin-9-yl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(6-aminopurin-9-yl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-aminopurin-9-yl)ethyl]piperazine-1-carboxylate Traditional Name: 4-(2-adenin-9-ylethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25N7O2 MolecularWeight: 347.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H25N7O2/c1-16(2,3)25-15(24)22-7-4-21(5-8-22)6-9-23-11-20-12-13(17)18-10-19-14(12)23/h10-11H,4-9H2,1-3H3,(H2,17,18,19)