1-[2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethyl]pyrrolidin-2-one CAS Name: 1-[2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)-9-purinyl]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethyl]pyrrolidin-2-one Traditional Name: 1-[2-[2-(p-anisylamino)-6-(phenethylamino)purin-9-yl]ethyl]-2-pyrrolidone Formula: C27H31N7O2 MolecularWeight: 485.58074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN5CCCC5=O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN5CCCC5=O

InChI

InChI=1S/C27H31N7O2/c1-36-22-11-9-21(10-12-22)18-29-27-31-25(28-14-13-20-6-3-2-4-7-20)24-26(32-27)34(19-30-24)17-16-33-15-5-8-23(33)35/h2-4,6-7,9-12,19H,5,8,13-18H2,1H3,(H2,28,29,31,32)