3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(pyridin-3-ylmethyl)amino]-2-methyl-propanenitrile

Systemtic Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]-(pyridin-3-ylmethyl)amino]-2-methyl-propanenitrile Openeye Name: 3-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]-(3-pyridylmethyl)amino]-2-methyl-propanenitrile CAS Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]-(3-pyridinylmethyl)amino]-2-methylpropanenitrile IUPAC Name: 3-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]-(pyridin-3-ylmethyl)amino]-2-methylpropanenitrile Traditional Name: 3-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]-(3-pyridylmethyl)amino]-2-methyl-propionitrile Formula: C26H30N8O MolecularWeight: 470.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CC4=CN=CC=C4)CC(C)C#N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)N(CC4=CN=CC=C4)CC(C)C#N

InChI

InChI=1S/C26H30N8O/c1-18(2)34-17-30-23-24(29-14-20-7-9-22(35-4)10-8-20)31-26(32-25(23)34)33(15-19(3)12-27)16-21-6-5-11-28-13-21/h5-11,13,17-19H,14-16H2,1-4H3,(H,29,31,32)