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

Systemtic Name: 3-[[5-azanyl-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(3,5-dimethylphenoxy)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O/c1-13-9-14(2)11-15(10-13)25-18-16(21)17(22-12-23-18)24(7-3-5-19)8-4-6-20/h9-12H,3-4,7-8,21H2,1-2H3