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

Systemtic Name: (4-methylphenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: p-tolyl 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-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

InChI

InChI=1S/C24H24N6O2/c1-3-13-30-16-26-21-22(25)27-20(28-23(21)30)6-4-5-18-11-14-29(15-12-18)24(31)32-19-9-7-17(2)8-10-19/h1,7-10,16,18H,5,11-15H2,2H3,(H2,25,27,28)