(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(propan-2-ylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(propan-2-ylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(isopropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(propan-2-ylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(propan-2-ylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(isopropylamino)pyrimidin-4-yl]acetonitrile Formula: C16H15N5O MolecularWeight: 293.3232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=CC(=N1)C(=C2NC3=CC=CC=C3O2)C#N

Isomeric SMILES

CC(C)NC1=NC=CC(=N1)/C(=C\2/NC3=CC=CC=C3O2)/C#N

InChI

InChI=1S/C16H15N5O/c1-10(2)19-16-18-8-7-12(21-16)11(9-17)15-20-13-5-3-4-6-14(13)22-15/h3-8,10,20H,1-2H3,(H,18,19,21)/b15-11-