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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS/c22-13-16(20-25-18-3-1-2-4-19(18)28-20)17-10-12-24-21(26-17)23-11-9-14-5-7-15(27)8-6-14/h1-8,10,12,16,27H,9,11H2,(H,23,24,26)