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

Systemtic Name: 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[2-(1-cyclohexenyl)ethylamino]-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[2-(cyclohexen-1-yl)ethylamino]-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[2-(cyclohexen-1-yl)ethylamino]-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C20H22N4S MolecularWeight: 350.48048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4S/c1-25-20-23-18(16-10-6-3-7-11-16)17(14-21)19(24-20)22-13-12-15-8-4-2-5-9-15/h3,6-8,10-11H,2,4-5,9,12-13H2,1H3,(H,22,23,24)