4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N(CCO)CCO)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)N(CCO)CCO)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN4O2S/c1-24-16-19-14(11-2-4-12(17)5-3-11)13(10-18)15(20-16)21(6-8-22)7-9-23/h2-5,22-23H,6-9H2,1H3