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

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-methyl-ethanamide hydrochloride Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl)-N-methyl-acetamide hydrochloride CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-methylacetamide hydrochloride IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-methylacetamide hydrochloride Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl)-N-methyl-acetamide hydrochloride Formula: C24H30ClN7O3 MolecularWeight: 499.9931

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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)NC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O3.ClH/c1-3-4-13-29-20-21(27-23(29)28-15-11-26-12-16-28)31(17-19(32)25-2)24(34)30(22(20)33)14-10-18-8-6-5-7-9-18;/h5-9,26H,10-17H2,1-2H3,(H,25,32);1H