2-[6-[(4-methoxyphenyl)methylamino]-2-[(phenylmethyl)amino]purin-9-yl]ethanol

Systemtic Name: 2-[6-[(4-methoxyphenyl)methylamino]-2-[(phenylmethyl)amino]purin-9-yl]ethanol Openeye Name: 2-[2-(benzylamino)-6-[(4-methoxyphenyl)methylamino]purin-9-yl]ethanol CAS Name: 2-[6-[(4-methoxyphenyl)methylamino]-2-[(phenylmethyl)amino]-9-purinyl]ethanol IUPAC Name: 2-[2-(benzylamino)-6-[(4-methoxyphenyl)methylamino]purin-9-yl]ethanol Traditional Name: 2-[2-(benzylamino)-6-(p-anisylamino)purin-9-yl]ethanol Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCO)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCO)NCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2/c1-30-18-9-7-17(8-10-18)13-23-20-19-21(28(11-12-29)15-25-19)27-22(26-20)24-14-16-5-3-2-4-6-16/h2-10,15,29H,11-14H2,1H3,(H2,23,24,26,27)