2-[7-[(E)-but-2-enyl]-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl]oxybenzamide

Systemtic Name: 2-[7-[(E)-but-2-enyl]-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl]oxybenzamide Openeye Name: 2-[7-[(E)-but-2-enyl]-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl]oxybenzamide CAS Name: 2-[[7-[(E)-but-2-enyl]-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]benzamide IUPAC Name: 2-[7-[(E)-but-2-enyl]-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl]oxybenzamide Traditional Name: 2-[7-[(E)-but-2-enyl]-6-keto-1-methyl-8-piperazino-purin-2-yl]oxybenzamide Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/CN1C2=C(N=C1N3CCNCC3)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C21H25N7O3/c1-3-4-11-28-16-18(24-20(28)27-12-9-23-10-13-27)25-21(26(2)19(16)30)31-15-8-6-5-7-14(15)17(22)29/h3-8,23H,9-13H2,1-2H3,(H2,22,29)/b4-3+