tert-butyl 4-(7-but-2-ynyl-2-chloranyl-6-oxidanylidene-3H-purin-8-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-but-2-ynyl-2-chloranyl-6-oxidanylidene-3H-purin-8-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-2-chloro-6-oxo-3H-purin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2-chloro-6-keto-3H-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN6O3 MolecularWeight: 406.86662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)Cl)N=C1N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23ClN6O3/c1-5-6-7-25-12-13(20-15(19)22-14(12)26)21-16(25)23-8-10-24(11-9-23)17(27)28-18(2,3)4/h7-11H2,1-4H3,(H,20,22,26)