2-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N(CC#N)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)N(CC#N)CC#N)C

InChI

InChI=1S/C16H16N6O/c1-11-7-12(2)9-13(8-11)23-16-14(19)15(20-10-21-16)22(5-3-17)6-4-18/h7-10H,5-6,19H2,1-2H3