4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCN(CC2)CCO)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCN(CC2)CCO)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN5OS/c1-26-18-21-16(13-2-4-14(19)5-3-13)15(12-20)17(22-18)24-8-6-23(7-9-24)10-11-25/h2-5,25H,6-11H2,1H3