1-[3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]amino]propyl]-2-pyrrolidone Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NCCCN4CCCC4=O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NCCCN4CCCC4=O

InChI

InChI=1S/C23H31N7O2/c1-16(2)30-15-26-20-21(25-14-17-7-9-18(32-3)10-8-17)27-23(28-22(20)30)24-11-5-13-29-12-4-6-19(29)31/h7-10,15-16H,4-6,11-14H2,1-3H3,(H2,24,25,27,28)