2-[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxidanylidene-purin-2-yl]oxypropanoic acid

Systemtic Name: 2-[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxidanylidene-purin-2-yl]oxypropanoic acid Openeye Name: 2-[8-(4-tert-butoxycarbonylpiperazin-1-yl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl]oxypropanoic acid CAS Name: 2-[[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-oxo-2-purinyl]oxy]propanoic acid IUPAC Name: 2-[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxopurin-2-yl]oxypropanoic acid Traditional Name: 2-[8-(4-tert-butoxycarbonylpiperazino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl]oxypropionic acid Formula: C22H30N6O6 MolecularWeight: 474.5102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC(C)C(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC(C)C(=O)O

InChI

InChI=1S/C22H30N6O6/c1-7-8-9-28-15-16(24-20(25(6)17(15)29)33-14(2)18(30)31)23-19(28)26-10-12-27(13-11-26)21(32)34-22(3,4)5/h14H,9-13H2,1-6H3,(H,30,31)