2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]acetic acid CAS Name: 2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)-9-purinyl]acetic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methylamino]-6-(phenethylamino)purin-9-yl]acetic acid Traditional Name: 2-[2-(p-anisylamino)-6-(phenethylamino)purin-9-yl]acetic acid Formula: C23H24N6O3 MolecularWeight: 432.47506

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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=CN3CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC(=O)O

InChI

InChI=1S/C23H24N6O3/c1-32-18-9-7-17(8-10-18)13-25-23-27-21(24-12-11-16-5-3-2-4-6-16)20-22(28-23)29(15-26-20)14-19(30)31/h2-10,15H,11-14H2,1H3,(H,30,31)(H2,24,25,27,28)