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

Systemtic Name: 1-[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxidanylidene-purin-2-yl]oxycyclopropane-1-carboxylic acid Openeye Name: 1-[8-(4-tert-butoxycarbonylpiperazin-1-yl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl]oxycyclopropanecarboxylic acid CAS Name: 1-[[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-6-oxo-2-purinyl]oxy]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[7-but-2-ynyl-1-methyl-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxopurin-2-yl]oxycyclopropane-1-carboxylic acid Traditional Name: 1-[8-(4-tert-butoxycarbonylpiperazino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl]oxycyclopropanecarboxylic acid Formula: C23H30N6O6 MolecularWeight: 486.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC4(CC4)C(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)C)OC4(CC4)C(=O)O

InChI

InChI=1S/C23H30N6O6/c1-6-7-10-29-15-16(25-20(26(5)17(15)30)34-23(8-9-23)18(31)32)24-19(29)27-11-13-28(14-12-27)21(33)35-22(2,3)4/h8-14H2,1-5H3,(H,31,32)