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

Systemtic Name: tert-butyl 4-[2-chloranyl-9-(ethoxymethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-9-(ethoxymethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-9-(ethoxymethyl)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-9-(ethoxymethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-9-(ethoxymethyl)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H27ClN6O3 MolecularWeight: 398.88768

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCOCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C17H27ClN6O3/c1-5-26-12-22-11-19-13-10-24(15(18)20-14(13)22)23-8-6-21(7-9-23)16(25)27-17(2,3)4/h11H,5-10,12H2,1-4H3