5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-purin-2-yl]pyridine-3-carbonitrile

Systemtic Name: 5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-purin-2-yl]pyridine-3-carbonitrile Openeye Name: 5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-isopropyl-purin-2-yl]pyridine-3-carbonitrile CAS Name: 5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-yl-2-purinyl]-3-pyridinecarbonitrile IUPAC Name: 5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-3-carbonitrile Traditional Name: 5-[6-[2-(4-hydroxyphenyl)ethylamino]-9-isopropyl-purin-2-yl]nicotinonitrile 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=CN=CC(=C4)C#N

Isomeric SMILES

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

InChI

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