tert-butyl 4-[7-but-2-ynyl-2,6-bis(chloranyl)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2,6-bis(chloranyl)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-2,6-dichloro-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-2,6-dichloropurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2,6-dichloro-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22Cl2N6O2 MolecularWeight: 425.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2Cl)Cl)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H22Cl2N6O2/c1-5-6-7-26-12-13(19)21-15(20)22-14(12)23-16(26)24-8-10-25(11-9-24)17(27)28-18(2,3)4/h7-11H2,1-4H3