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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)NC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

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