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

Systemtic Name: 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-methyl-ethanamide Openeye Name: 2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)-N-methyl-acetamide CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-methylacetamide IUPAC Name: 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-methylacetamide Traditional Name: 2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)-N-methyl-acetamide Formula: C24H33N7O3 MolecularWeight: 467.56392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC

InChI

InChI=1S/C24H33N7O3/c1-4-17(2)31-20-21(27-23(31)28-14-11-26-12-15-28)30(16-19(32)25-3)24(34)29(22(20)33)13-10-18-8-6-5-7-9-18/h5-9,17,26H,4,10-16H2,1-3H3,(H,25,32)