1-[3-[[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[[9-isopropyl-2-(phenethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[[2-(phenethylamino)-9-propan-2-yl-6-purinyl]amino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[[2-(phenethylamino)-9-propan-2-ylpurin-6-yl]amino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[[9-isopropyl-2-(phenethylamino)purin-6-yl]amino]propyl]-2-pyrrolidone Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3CCCC3=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCCN3CCCC3=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H31N7O/c1-17(2)30-16-26-20-21(24-12-7-15-29-14-6-10-19(29)31)27-23(28-22(20)30)25-13-11-18-8-4-3-5-9-18/h3-5,8-9,16-17H,6-7,10-15H2,1-2H3,(H2,24,25,27,28)