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

Systemtic Name: 2-(2-azanylethylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-ethanenitrile Openeye Name: 2-(2-aminoethylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-yl-acetonitrile CAS Name: 2-(2-aminoethylamino)-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidinyl)acetonitrile IUPAC Name: 2-(2-aminoethylamino)-2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile Traditional Name: 2-(2-aminoethylamino)-2-(1,3-benzothiazol-2-yl)-2-(4-pyrimidyl)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/c16-6-8-20-15(9-17,13-5-7-18-10-19-13)14-21-11-3-1-2-4-12(11)22-14/h1-5,7,10,20H,6,8,16H2