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

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(3-morpholinopropylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-[3-(4-morpholinyl)propylamino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(3-morpholinopropylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCN3CCOCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCN3CCOCC3)C#N

InChI

InChI=1S/C20H25N5OS/c1-15-4-6-16(7-5-15)18-17(14-21)19(24-20(23-18)27-2)22-8-3-9-25-10-12-26-13-11-25/h4-7H,3,8-13H2,1-2H3,(H,22,23,24)