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

Systemtic Name: [1-[7-but-2-ynyl-2-cyano-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-purin-8-yl]piperidin-3-yl] N-tert-butylcarbamate Openeye Name: [1-[7-but-2-ynyl-2-cyano-1-[(2-cyanophenyl)methyl]-6-oxo-purin-8-yl]-3-piperidyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[7-but-2-ynyl-2-cyano-1-[(2-cyanophenyl)methyl]-6-oxo-8-purinyl]-3-piperidinyl] ester IUPAC Name: [1-[7-but-2-ynyl-2-cyano-1-[(2-cyanophenyl)methyl]-6-oxopurin-8-yl]piperidin-3-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-[7-but-2-ynyl-2-cyano-1-(2-cyanobenzyl)-6-keto-purin-8-yl]-3-piperidyl] ester Formula: C28H30N8O3 MolecularWeight: 526.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCCC(C4)OC(=O)NC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCCC(C4)OC(=O)NC(C)(C)C

InChI

InChI=1S/C28H30N8O3/c1-5-6-14-35-23-24(31-22(16-30)36(25(23)37)17-20-11-8-7-10-19(20)15-29)32-26(35)34-13-9-12-21(18-34)39-27(38)33-28(2,3)4/h7-8,10-11,21H,9,12-14,17-18H2,1-4H3,(H,33,38)