N-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyphenyl]ethanamide

Systemtic Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyphenyl]ethanamide Openeye Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxyphenyl]acetamide CAS Name: N-[2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]phenyl]acetamide IUPAC Name: N-[2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxyphenyl]acetamide Traditional Name: N-[2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxyphenyl]acetamide Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4NC(=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4NC(=O)C

InChI

InChI=1S/C22H25N7O3/c1-4-5-12-29-18-19(25-21(29)28-13-10-23-11-14-28)26-22(27(3)20(18)31)32-17-9-7-6-8-16(17)24-15(2)30/h6-9,23H,10-14H2,1-3H3,(H,24,30)