[1-[7-but-2-ynyl-2-chloranyl-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-purin-8-yl]piperidin-3-yl] N-tert-butylcarbamate

Systemtic Name: [1-[7-but-2-ynyl-2-chloranyl-1-[(4-cyanophenyl)methyl]-6-oxidanylidene-purin-8-yl]piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-[7-but-2-ynyl-2-chloro-1-[(4-cyanophenyl)methyl]-6-oxo-purin-8-yl]-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[7-but-2-ynyl-2-chloro-1-[(4-cyanophenyl)methyl]-6-oxo-8-purinyl]-3-piperidinyl] ester IUPAC Name: [1-[7-but-2-ynyl-2-chloro-1-[(4-cyanophenyl)methyl]-6-oxopurin-8-yl]piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-[7-but-2-ynyl-2-chloro-1-(4-cyanobenzyl)-6-keto-purin-8-yl]-3-piperidyl] ester Formula: C27H30ClN7O3 MolecularWeight: 536.0252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)OC(=O)NC(C)(C)C)N=C(N(C2=O)CC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)OC(=O)NC(C)(C)C)N=C(N(C2=O)CC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C27H30ClN7O3/c1-5-6-14-34-21-22(30-24(28)35(23(21)36)16-19-11-9-18(15-29)10-12-19)31-25(34)33-13-7-8-20(17-33)38-26(37)32-27(2,3)4/h9-12,20H,7-8,13-14,16-17H2,1-4H3,(H,32,37)