3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-purin-2-yl]pyridine-4-carbonitrile

Systemtic Name: 3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-purin-2-yl]pyridine-4-carbonitrile Openeye Name: 3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-isopropyl-purin-2-yl]pyridine-4-carbonitrile CAS Name: 3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-2-purinyl]-4-pyridinecarbonitrile IUPAC Name: 3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-4-carbonitrile Traditional Name: 3-[6-[2-(4-hydroxyphenyl)ethylamino]-9-isopropyl-purin-2-yl]isonicotinonitrile Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=C(C=CN=C4)C#N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)O)C4=C(C=CN=C4)C#N

InChI

InChI=1S/C22H21N7O/c1-14(2)29-13-26-19-21(25-10-7-15-3-5-17(30)6-4-15)27-20(28-22(19)29)18-12-24-9-8-16(18)11-23/h3-6,8-9,12-14,30H,7,10H2,1-2H3,(H,25,27,28)