2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(methylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(methylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(methylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C19H15ClN4S MolecularWeight: 366.8672

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H15ClN4S/c1-22-18-15(11-21)17(13-7-3-2-4-8-13)23-19(24-18)25-12-14-9-5-6-10-16(14)20/h2-10H,12H2,1H3,(H,22,23,24)