2-[7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxidanylidene-purin-2-yl]oxybenzamide

Systemtic Name: 2-[7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxidanylidene-purin-2-yl]oxybenzamide Openeye Name: 2-[7-but-2-ynyl-1-methyl-8-[3-(methylamino)-1-piperidyl]-6-oxo-purin-2-yl]oxybenzamide CAS Name: 2-[[7-but-2-ynyl-1-methyl-8-[3-(methylamino)-1-piperidinyl]-6-oxo-2-purinyl]oxy]benzamide IUPAC Name: 2-[7-but-2-ynyl-1-methyl-8-[3-(methylamino)piperidin-1-yl]-6-oxopurin-2-yl]oxybenzamide Traditional Name: 2-[7-but-2-ynyl-6-keto-1-methyl-8-[3-(methylamino)piperidino]purin-2-yl]oxybenzamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCCC(C3)NC)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCCC(C3)NC)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C23H27N7O3/c1-4-5-13-30-18-20(26-22(30)29-12-8-9-15(14-29)25-2)27-23(28(3)21(18)32)33-17-11-7-6-10-16(17)19(24)31/h6-7,10-11,15,25H,8-9,12-14H2,1-3H3,(H2,24,31)