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

Systemtic Name: (4-methoxycarbonylphenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 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 (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 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 (4-carbomethoxyphenyl) ester Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

InChI

InChI=1S/C25H24N6O4/c1-3-13-31-16-27-21-22(26)28-20(29-23(21)31)6-4-5-17-11-14-30(15-12-17)25(33)35-19-9-7-18(8-10-19)24(32)34-2/h1,7-10,16-17H,5,11-15H2,2H3,(H2,26,28,29)