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

Systemtic Name: 2-[4-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-[4-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[4-[2-[2-(4-aminophenyl)ethylamino]-4-pyrimidinyl]-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-[4-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-[4-[2-[2-(4-aminophenyl)ethylamino]pyrimidin-4-yl]-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)SC(=N2)CC#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)CC#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)N

InChI

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