N-[(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)methyl]benzamide

Systemtic Name: N-[(7-but-2-ynyl-2-chloranyl-8-oxidanylidene-6-piperazin-1-yl-purin-9-yl)methyl]benzamide Openeye Name: N-[(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-yl-purin-9-yl)methyl]benzamide CAS Name: N-[[7-but-2-ynyl-2-chloro-8-oxo-6-(1-piperazinyl)-9-purinyl]methyl]benzamide IUPAC Name: N-[(7-but-2-ynyl-2-chloro-8-oxo-6-piperazin-1-ylpurin-9-yl)methyl]benzamide Traditional Name: N-[(7-but-2-ynyl-2-chloro-8-keto-6-piperazino-purin-9-yl)methyl]benzamide Formula: C21H22ClN7O2 MolecularWeight: 439.89808

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C(N=C2N3CCNCC3)Cl)N(C1=O)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN7O2/c1-2-3-11-28-16-17(27-12-9-23-10-13-27)25-20(22)26-18(16)29(21(28)31)14-24-19(30)15-7-5-4-6-8-15/h4-8,23H,9-14H2,1H3,(H,24,30)