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

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2-chloranyl-1-(2-methoxyethyl)-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-2-chloro-1-(2-methoxyethyl)-6-oxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-2-chloro-1-(2-methoxyethyl)-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-2-chloro-1-(2-methoxyethyl)-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-2-chloro-6-keto-1-(2-methoxyethyl)purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN6O4 MolecularWeight: 464.94576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)CCOC)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)CCOC)Cl

InChI

InChI=1S/C21H29ClN6O4/c1-6-7-8-27-15-16(23-18(22)28(17(15)29)13-14-31-5)24-19(27)25-9-11-26(12-10-25)20(30)32-21(2,3)4/h8-14H2,1-5H3