2-[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-2-[(4-phenethylphenyl)amino]pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-2-[(4-phenethylphenyl)amino]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[4-(3-cyclohexyl-5-methyl-isoxazol-4-yl)-2-(4-phenethylanilino)pyrimidin-5-yl]acetonitrile CAS Name: 2-[4-(3-cyclohexyl-5-methyl-4-isoxazolyl)-2-(4-phenethylanilino)-5-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-2-(4-phenethylanilino)pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-(3-cyclohexyl-5-methyl-isoxazol-4-yl)-2-(4-phenethylanilino)pyrimidin-5-yl]acetonitrile Formula: C30H31N5O MolecularWeight: 477.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2CCCCC2)C3=NC(=NC=C3CC#N)NC4=CC=C(C=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C2CCCCC2)C3=NC(=NC=C3CC#N)NC4=CC=C(C=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O/c1-21-27(29(35-36-21)24-10-6-3-7-11-24)28-25(18-19-31)20-32-30(34-28)33-26-16-14-23(15-17-26)13-12-22-8-4-2-5-9-22/h2,4-5,8-9,14-17,20,24H,3,6-7,10-13,18H2,1H3,(H,32,33,34)