4-[3-(dimethylamino)propylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[3-(dimethylamino)propylamino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-[3-(dimethylamino)propylamino]-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-[3-(dimethylamino)propylamino]-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[3-(dimethylamino)propylamino]-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-[3-(dimethylamino)propylamino]-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5S/c1-13-6-8-14(9-7-13)16-15(12-19)17(22-18(21-16)24-4)20-10-5-11-23(2)3/h6-9H,5,10-11H2,1-4H3,(H,20,21,22)