4-(4-chlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(2-morpholinoethylamino)pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(methylthio)-6-[2-(4-morpholinyl)ethylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(2-morpholinoethylamino)pyrimidine-5-carbonitrile Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)C#N)C3=CC=C(C=C3)Cl

InChI

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