tert-butyl 4-(2-chloranylpurin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranylpurin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloropurin-1-yl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-1-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloropurin-1-yl)piperazine-1-carboxylate Traditional Name: 4-(2-chloropurin-1-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C14H19ClN6O2 MolecularWeight: 338.79266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC=N3)N=C2Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC=N3)N=C2Cl

InChI

InChI=1S/C14H19ClN6O2/c1-14(2,3)23-13(22)19-4-6-20(7-5-19)21-8-10-11(17-9-16-10)18-12(21)15/h8-9H,4-7H2,1-3H3