4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-6-(4-chlorophenyl)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C21H17ClN6S MolecularWeight: 420.91788

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCC2=NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCC2=NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN6S/c1-29-21-27-19(13-6-8-14(22)9-7-13)15(12-23)20(28-21)24-11-10-18-25-16-4-2-3-5-17(16)26-18/h2-9H,10-11H2,1H3,(H,25,26)(H,24,27,28)