2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-3,5-dimethyl-benzoic acid

Systemtic Name: 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxy-3,5-dimethyl-benzoic acid Openeye Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxy-3,5-dimethyl-benzoic acid CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]-3,5-dimethylbenzoic acid IUPAC Name: 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-3,5-dimethylbenzoic acid Traditional Name: 2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxy-3,5-dimethyl-benzoic acid Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=C(C=C4C(=O)O)C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=C(C=C(C=C4C(=O)O)C)C

InChI

InChI=1S/C23H26N6O4/c1-5-6-9-29-17-19(25-22(29)28-10-7-24-8-11-28)26-23(27(4)20(17)30)33-18-15(3)12-14(2)13-16(18)21(31)32/h12-13,24H,7-11H2,1-4H3,(H,31,32)