2-[2-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]ethanenitrile

Systemtic Name: 2-[2-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]ethanenitrile Openeye Name: 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]thiazol-4-yl]acetonitrile CAS Name: 2-[2-[2-(3,5-dimethylanilino)-4-pyrimidinyl]-4-thiazolyl]acetonitrile IUPAC Name: 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]acetonitrile Traditional Name: 2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]thiazol-4-yl]acetonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC(=CS3)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC(=CS3)CC#N)C

InChI

InChI=1S/C17H15N5S/c1-11-7-12(2)9-14(8-11)21-17-19-6-4-15(22-17)16-20-13(3-5-18)10-23-16/h4,6-10H,3H2,1-2H3,(H,19,21,22)