4-(4-chlorophenyl)-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[2-(1-cyclohexenyl)ethylamino]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[2-(cyclohexen-1-yl)ethylamino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCC2=CCCCC2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCC2=CCCCC2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4S/c1-26-20-24-18(15-7-9-16(21)10-8-15)17(13-22)19(25-20)23-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,23,24,25)