[7-but-2-ynyl-2-chloranyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-purin-8-yl] piperazine-1-carboxylate

Systemtic Name: [7-but-2-ynyl-2-chloranyl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-purin-8-yl] piperazine-1-carboxylate Openeye Name: [7-but-2-ynyl-2-chloro-1-[(2-cyanophenyl)methyl]-6-oxo-purin-8-yl] piperazine-1-carboxylate CAS Name: 1-piperazinecarboxylic acid [7-but-2-ynyl-2-chloro-1-[(2-cyanophenyl)methyl]-6-oxo-8-purinyl] ester IUPAC Name: [7-but-2-ynyl-2-chloro-1-[(2-cyanophenyl)methyl]-6-oxopurin-8-yl] piperazine-1-carboxylate Traditional Name: piperazine-1-carboxylic acid [7-but-2-ynyl-2-chloro-1-(2-cyanobenzyl)-6-keto-purin-8-yl] ester Formula: C22H20ClN7O3 MolecularWeight: 465.8923

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1OC(=O)N3CCNCC3)N=C(N(C2=O)CC4=CC=CC=C4C#N)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1OC(=O)N3CCNCC3)N=C(N(C2=O)CC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C22H20ClN7O3/c1-2-3-10-29-17-18(27-21(29)33-22(32)28-11-8-25-9-12-28)26-20(23)30(19(17)31)14-16-7-5-4-6-15(16)13-24/h4-7,25H,8-12,14H2,1H3