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

Systemtic Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopentylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopentylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopentylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopentylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(cyclopentylamino)pyrimidin-4-yl]acetonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=CC(=N2)C(=C3NC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1CCC(C1)NC2=NC=CC(=N2)/C(=C\3/NC4=CC=CC=C4O3)/C#N

InChI

InChI=1S/C18H17N5O/c19-11-13(17-22-15-7-3-4-8-16(15)24-17)14-9-10-20-18(23-14)21-12-5-1-2-6-12/h3-4,7-10,12,22H,1-2,5-6H2,(H,20,21,23)/b17-13-