2-[4-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methyl-5-oxidanyl-phenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-[2-(dimethylamino)-4-pyrimidinyl]-3-(3-hydroxy-5-methylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-hydroxy-5-methyl-phenyl)pyrazol-1-yl]acetonitrile Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)N(C)C)CC#N)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C=C2C3=NC(=NC=C3)N(C)C)CC#N)O

InChI

InChI=1S/C18H18N6O/c1-12-8-13(10-14(25)9-12)17-15(11-24(22-17)7-5-19)16-4-6-20-18(21-16)23(2)3/h4,6,8-11,25H,7H2,1-3H3