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

Systemtic Name: 2-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[2-[2-(4-aminophenyl)ethylamino]-4-pyrimidinyl]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)N

InChI

InChI=1S/C21H18N6S/c22-13-16(20-26-18-3-1-2-4-19(18)28-20)17-10-12-25-21(27-17)24-11-9-14-5-7-15(23)8-6-14/h1-8,10,12,16H,9,11,23H2,(H,24,25,27)