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

Systemtic Name: 2-[2-(2-azanylethylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[2-(2-aminoethylamino)-4-pyrimidinyl]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C15H14N6S MolecularWeight: 310.37686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6S/c16-6-8-19-15-18-7-5-11(21-15)10(9-17)14-20-12-3-1-2-4-13(12)22-14/h1-5,7,10H,6,8,16H2,(H,18,19,21)