2-[[8-(2-tert-butylpiperidin-1-yl)-7-but-2-ynyl-2-chloranyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[8-(2-tert-butylpiperidin-1-yl)-7-but-2-ynyl-2-chloranyl-6-oxidanylidene-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[8-(2-tert-butyl-1-piperidyl)-7-but-2-ynyl-2-chloro-6-oxo-purin-1-yl]methyl]benzonitrile CAS Name: 2-[[8-(2-tert-butyl-1-piperidinyl)-7-but-2-ynyl-2-chloro-6-oxo-1-purinyl]methyl]benzonitrile IUPAC Name: 2-[[8-(2-tert-butylpiperidin-1-yl)-7-but-2-ynyl-2-chloro-6-oxopurin-1-yl]methyl]benzonitrile Traditional Name: 2-[[8-(2-tert-butylpiperidino)-7-but-2-ynyl-2-chloro-6-keto-purin-1-yl]methyl]benzonitrile Formula: C26H29ClN6O MolecularWeight: 477.00106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCCC3C(C)(C)C)N=C(N(C2=O)CC4=CC=CC=C4C#N)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCCC3C(C)(C)C)N=C(N(C2=O)CC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C26H29ClN6O/c1-5-6-14-32-21-22(30-25(32)31-15-10-9-13-20(31)26(2,3)4)29-24(27)33(23(21)34)17-19-12-8-7-11-18(19)16-28/h7-8,11-12,20H,9-10,13-15,17H2,1-4H3