2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-phenyl-ethanamide hydrochloride

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-phenyl-ethanamide hydrochloride Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl)-N-phenyl-acetamide hydrochloride CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-phenylacetamide hydrochloride IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-phenylacetamide hydrochloride Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl)-N-phenyl-acetamide hydrochloride Formula: C29H32ClN7O3 MolecularWeight: 562.06248

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC5=CC=CC=C5.Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC5=CC=CC=C5.Cl

InChI

InChI=1S/C29H31N7O3.ClH/c1-2-3-17-34-25-26(32-28(34)33-19-15-30-16-20-33)36(21-24(37)31-23-12-8-5-9-13-23)29(39)35(27(25)38)18-14-22-10-6-4-7-11-22;/h4-13,30H,14-21H2,1H3,(H,31,37);1H