(2-chlorophenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate

Systemtic Name: (2-chlorophenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: (2-chlorophenyl) 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperidinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylic acid (2-chlorophenyl) ester Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC=CC=C4Cl

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC=CC=C4Cl

InChI

InChI=1S/C23H21ClN6O2/c1-2-12-30-15-26-20-21(25)27-19(28-22(20)30)9-5-6-16-10-13-29(14-11-16)23(31)32-18-8-4-3-7-17(18)24/h1,3-4,7-8,15-16H,6,10-14H2,(H2,25,27,28)