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

Systemtic Name: 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-phenyl-ethanamide Openeye Name: 2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)-N-phenyl-acetamide CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-phenylacetamide IUPAC Name: 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-phenylacetamide Traditional Name: 2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)-N-phenyl-acetamide Formula: C29H35N7O3 MolecularWeight: 529.6333

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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)NC5=CC=CC=C5

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H35N7O3/c1-3-21(2)36-25-26(32-28(36)33-18-15-30-16-19-33)35(20-24(37)31-23-12-8-5-9-13-23)29(39)34(27(25)38)17-14-22-10-6-4-7-11-22/h4-13,21,30H,3,14-20H2,1-2H3,(H,31,37)