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

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

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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=CC=C4C#N)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)OC(=O)NC(C)(C)C)N=C(N(C2=O)CC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C27H30ClN7O3/c1-5-6-14-34-21-22(30-24(28)35(23(21)36)16-19-11-8-7-10-18(19)15-29)31-25(34)33-13-9-12-20(17-33)38-26(37)32-27(2,3)4/h7-8,10-11,20H,9,12-14,16-17H2,1-4H3,(H,32,37)