(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-[3-(1-imidazolyl)propylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]acetonitrile Formula: C19H17N7S MolecularWeight: 375.45018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCCN4C=CN=C4)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/C#N)\C3=NC(=NC=C3)NCCCN4C=CN=C4)/S2

InChI

InChI=1S/C19H17N7S/c20-12-14(18-24-16-4-1-2-5-17(16)27-18)15-6-8-23-19(25-15)22-7-3-10-26-11-9-21-13-26/h1-2,4-6,8-9,11,13,24H,3,7,10H2,(H,22,23,25)/b18-14+