tert-butyl 4-(8-ethyl-7H-purin-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-ethyl-7H-purin-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-ethyl-7H-purin-6-yl)piperazine-1-carboxylate CAS Name: 4-(8-ethyl-7H-purin-6-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-ethyl-7H-purin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(8-ethyl-7H-purin-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H24N6O2 MolecularWeight: 332.40076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N6O2/c1-5-11-19-12-13(20-11)17-10-18-14(12)21-6-8-22(9-7-21)15(23)24-16(2,3)4/h10H,5-9H2,1-4H3,(H,17,18,19,20)