2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-6-phenyl-2-(p-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-4-phenyl-6-(prop-2-enylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-2-[(4-methylbenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C22H20N4S MolecularWeight: 372.486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4S/c1-3-13-24-21-19(14-23)20(18-7-5-4-6-8-18)25-22(26-21)27-15-17-11-9-16(2)10-12-17/h3-12H,1,13,15H2,2H3,(H,24,25,26)