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

Systemtic Name: 2-[2-(3-azanylpropylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[2-(3-aminopropylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[2-(3-aminopropylamino)-4-pyrimidinyl]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[2-(3-aminopropylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[2-(3-aminopropylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6S/c17-7-3-8-19-16-20-9-6-12(22-16)11(10-18)15-21-13-4-1-2-5-14(13)23-15/h1-2,4-6,9,11H,3,7-8,17H2,(H,19,20,22)