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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-phenyl-6-(propylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-phenyl-6-(propylamino)pyrimidine-5-carbonitrile Formula: C21H19ClN4S MolecularWeight: 394.92036

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN4S/c1-2-12-24-20-17(13-23)19(15-8-4-3-5-9-15)25-21(26-20)27-14-16-10-6-7-11-18(16)22/h3-11H,2,12,14H2,1H3,(H,24,25,26)