2-(1,3-benzothiazol-2-yl)-2-[2-(3-oxidanylpropylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-oxidanylpropylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-hydroxypropylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-hydroxypropylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-hydroxypropylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(3-hydroxypropylamino)pyrimidin-4-yl]acetonitrile Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCCO

InChI

InChI=1S/C16H15N5OS/c17-10-11(15-20-13-4-1-2-5-14(13)23-15)12-6-8-19-16(21-12)18-7-3-9-22/h1-2,4-6,8,11,22H,3,7,9H2,(H,18,19,21)