4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholinopropylamino)pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-2-(methylthio)-6-[3-(4-morpholinyl)propylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-2-(methylthio)-6-(3-morpholinopropylamino)pyrimidine-5-carbonitrile Formula: C19H22ClN5OS MolecularWeight: 403.92888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCCN2CCOCC2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCCN2CCOCC2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN5OS/c1-27-19-23-17(14-3-5-15(20)6-4-14)16(13-21)18(24-19)22-7-2-8-25-9-11-26-12-10-25/h3-6H,2,7-12H2,1H3,(H,22,23,24)