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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(diethylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(diethylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(diethylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN4S/c1-3-27(4-2)21-18(14-24)20(16-10-6-5-7-11-16)25-22(26-21)28-15-17-12-8-9-13-19(17)23/h5-13H,3-4,15H2,1-2H3