2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile CAS Name: 2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]-5-pyrimidinyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[4-methoxy-6-methyl-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC(=C(C(=N2)OC)C3=CC=C(C=C3)OCC#N)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC(=C(C(=N2)OC)C3=CC=C(C=C3)OCC#N)C

InChI

InChI=1S/C21H26N4O2/c1-14-4-8-17(9-5-14)24-21-23-15(2)19(20(25-21)26-3)16-6-10-18(11-7-16)27-13-12-22/h6-7,10-11,14,17H,4-5,8-9,13H2,1-3H3,(H,23,24,25)