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

Systemtic Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopropylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopropylamino)pyrimidin-4-yl]acetonitrile Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=CC(=N2)C(=C3NC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1CC1NC2=NC=CC(=N2)/C(=C\3/NC4=CC=CC=C4O3)/C#N

InChI

InChI=1S/C16H13N5O/c17-9-11(15-20-13-3-1-2-4-14(13)22-15)12-7-8-18-16(21-12)19-10-5-6-10/h1-4,7-8,10,20H,5-6H2,(H,18,19,21)/b15-11-