4-[[(2S)-butan-2-yl]amino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[[(1S)-1-methylpropyl]amino]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-chlorophenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-[[(2S)-butan-2-yl]amino]-6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[[(1S)-1-methylpropyl]amino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C16H17ClN4S MolecularWeight: 332.85098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CC[C@H](C)NC1=NC(=NC(=C1C#N)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C16H17ClN4S/c1-4-10(2)19-15-13(9-18)14(20-16(21-15)22-3)11-5-7-12(17)8-6-11/h5-8,10H,4H2,1-3H3,(H,19,20,21)/t10-/m0/s1