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

Systemtic Name: (2-methoxyphenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: (2-methoxyphenyl) 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-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 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-methoxyphenyl) ester Formula: C24H24N6O3 MolecularWeight: 444.48576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

Isomeric SMILES

COC1=CC=CC=C1OC(=O)N2CCC(CC2)CC#CC3=NC4=C(C(=N3)N)N=CN4CC#C

InChI

InChI=1S/C24H24N6O3/c1-3-13-30-16-26-21-22(25)27-20(28-23(21)30)10-6-7-17-11-14-29(15-12-17)24(31)33-19-9-5-4-8-18(19)32-2/h1,4-5,8-9,16-17H,7,11-15H2,2H3,(H2,25,27,28)