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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-(propan-2-ylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(isopropylamino)-6-phenyl-2-(p-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-4-phenyl-6-(propan-2-ylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-(propan-2-ylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(isopropylamino)-2-[(4-methylbenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC(C)C)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NC(C)C)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4S/c1-15(2)24-21-19(13-23)20(18-7-5-4-6-8-18)25-22(26-21)27-14-17-11-9-16(3)10-12-17/h4-12,15H,14H2,1-3H3,(H,24,25,26)