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

Systemtic Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(3-butoxypropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(3-butoxypropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(3-butoxypropylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(3-butoxypropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-[2-(3-butoxypropylamino)pyrimidin-4-yl]acetonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC1=NC=CC(=N1)C(=C2NC3=CC=CC=C3O2)C#N

Isomeric SMILES

CCCCOCCCNC1=NC=CC(=N1)/C(=C\2/NC3=CC=CC=C3O2)/C#N

InChI

InChI=1S/C20H23N5O2/c1-2-3-12-26-13-6-10-22-20-23-11-9-16(25-20)15(14-21)19-24-17-7-4-5-8-18(17)27-19/h4-5,7-9,11,24H,2-3,6,10,12-13H2,1H3,(H,22,23,25)/b19-15-