tert-butyl 4-(7-but-2-ynyl-2-cyano-1-methyl-6-oxidanylidene-purin-8-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-but-2-ynyl-2-cyano-1-methyl-6-oxidanylidene-purin-8-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-but-2-ynyl-2-cyano-1-methyl-6-oxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(7-but-2-ynyl-2-cyano-1-methyl-6-oxo-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-but-2-ynyl-2-cyano-1-methyl-6-oxopurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-but-2-ynyl-2-cyano-6-keto-1-methyl-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N7O3 MolecularWeight: 411.4576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O3/c1-6-7-8-27-15-16(22-14(13-21)24(5)17(15)28)23-18(27)25-9-11-26(12-10-25)19(29)30-20(2,3)4/h8-12H2,1-5H3