tert-butyl 1-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-(7-but-2-ynyl-2-chloranyl-1-methyl-6-oxidanylidene-purin-8-yl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-purin-8-yl)piperazine-2-carboxylate CAS Name: 1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxo-8-purinyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(7-but-2-ynyl-2-chloro-1-methyl-6-oxopurin-8-yl)piperazine-2-carboxylate Traditional Name: 1-(7-but-2-ynyl-2-chloro-6-keto-1-methyl-purin-8-yl)piperazine-2-carboxylic acid tert-butyl ester Formula: C19H25ClN6O3 MolecularWeight: 420.8932

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3C(=O)OC(C)(C)C)N=C(N(C2=O)C)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3C(=O)OC(C)(C)C)N=C(N(C2=O)C)Cl

InChI

InChI=1S/C19H25ClN6O3/c1-6-7-9-26-13-14(22-17(20)24(5)15(13)27)23-18(26)25-10-8-21-11-12(25)16(28)29-19(2,3)4/h12,21H,8-11H2,1-5H3