2-(7-but-2-ynyl-9-methyl-8-oxidanylidene-6-piperazin-1-yl-purin-2-yl)oxybenzamide

Systemtic Name: 2-(7-but-2-ynyl-9-methyl-8-oxidanylidene-6-piperazin-1-yl-purin-2-yl)oxybenzamide Openeye Name: 2-(7-but-2-ynyl-9-methyl-8-oxo-6-piperazin-1-yl-purin-2-yl)oxybenzamide CAS Name: 2-[[7-but-2-ynyl-9-methyl-8-oxo-6-(1-piperazinyl)-2-purinyl]oxy]benzamide IUPAC Name: 2-(7-but-2-ynyl-9-methyl-8-oxo-6-piperazin-1-ylpurin-2-yl)oxybenzamide Traditional Name: 2-(7-but-2-ynyl-8-keto-9-methyl-6-piperazino-purin-2-yl)oxybenzamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4C(=O)N)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)OC4=CC=CC=C4C(=O)N)N(C1=O)C

InChI

InChI=1S/C21H23N7O3/c1-3-4-11-28-16-18(26(2)21(28)30)24-20(25-19(16)27-12-9-23-10-13-27)31-15-8-6-5-7-14(15)17(22)29/h5-8,23H,9-13H2,1-2H3,(H2,22,29)