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

Systemtic Name: 2-(3-azanylpropylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-ethanenitrile Openeye Name: 2-(3-aminopropylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-acetonitrile CAS Name: 2-(3-aminopropylamino)-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidinyl)acetonitrile IUPAC Name: 2-(3-aminopropylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile Traditional Name: 2-(3-aminopropylamino)-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidyl)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/c17-7-3-8-21-16(10-18,14-6-9-19-11-20-14)15-22-12-4-1-2-5-13(12)23-15/h1-2,4-6,9,11,21H,3,7-8,17H2