4-(1,3-benzothiazol-2-yl)-2-[[4-(2-hydroxyethyl)phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-[[4-(2-hydroxyethyl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile CAS Name: 4-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyethyl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=NC(=NC=C3C#N)NC4=CC=C(C=C4)CCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=NC(=NC=C3C#N)NC4=CC=C(C=C4)CCO

InChI

InChI=1S/C20H15N5OS/c21-11-14-12-22-20(23-15-7-5-13(6-8-15)9-10-26)25-18(14)19-24-16-3-1-2-4-17(16)27-19/h1-8,12,26H,9-10H2,(H,22,23,25)