N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]benzamide

Systemtic Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl]benzamide Openeye Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl]benzamide CAS Name: N-[2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl]benzamide IUPAC Name: N-[2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl]benzamide Traditional Name: N-[2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)ethyl]benzamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCNC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCNC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H27N7O3/c1-3-4-13-29-18-19(26-22(29)28-14-10-24-11-15-28)27(2)23(33)30(21(18)32)16-12-25-20(31)17-8-6-5-7-9-17/h5-9,24H,10-16H2,1-2H3,(H,25,31)