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

Systemtic Name: (3,4-dichlorophenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: (3,4-dichlorophenyl) 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 (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 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 (3,4-dichlorophenyl) ester Formula: C23H20Cl2N6O2 MolecularWeight: 483.3499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H20Cl2N6O2/c1-2-10-31-14-27-20-21(26)28-19(29-22(20)31)5-3-4-15-8-11-30(12-9-15)23(32)33-16-6-7-17(24)18(25)13-16/h1,6-7,13-15H,4,8-12H2,(H2,26,28,29)