2-(7-butan-2-yl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxybenzamide

Systemtic Name: 2-(7-butan-2-yl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxybenzamide Openeye Name: 2-(1-methyl-6-oxo-8-piperazin-1-yl-7-sec-butyl-purin-2-yl)oxybenzamide CAS Name: 2-[[7-butan-2-yl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]benzamide IUPAC Name: 2-(7-butan-2-yl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxybenzamide Traditional Name: 2-(6-keto-1-methyl-8-piperazino-7-sec-butyl-purin-2-yl)oxybenzamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C21H27N7O3/c1-4-13(2)28-16-18(24-20(28)27-11-9-23-10-12-27)25-21(26(3)19(16)30)31-15-8-6-5-7-14(15)17(22)29/h5-8,13,23H,4,9-12H2,1-3H3,(H2,22,29)