1-[4-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]phenyl]ethanone Openeye Name: 1-[4-[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]phenyl]ethanone CAS Name: 1-[4-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]phenyl]ethanone IUPAC Name: 1-[4-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]phenyl]ethanone Traditional Name: 1-[4-[9-isopropyl-6-(p-anisylamino)purin-2-yl]phenyl]ethanone Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C24H25N5O2/c1-15(2)29-14-26-21-23(25-13-17-5-11-20(31-4)12-6-17)27-22(28-24(21)29)19-9-7-18(8-10-19)16(3)30/h5-12,14-15H,13H2,1-4H3,(H,25,27,28)