2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-[(phenylmethyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-4-phenyl-6-[(phenylmethyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-(benzylamino)-6-phenyl-2-(p-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-[(4-methylphenyl)methylthio]-4-phenyl-6-[(phenylmethyl)amino]-5-pyrimidinecarbonitrile IUPAC Name: 4-(benzylamino)-2-[(4-methylphenyl)methylsulfanyl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(benzylamino)-2-[(4-methylbenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C26H22N4S MolecularWeight: 422.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4S/c1-19-12-14-21(15-13-19)18-31-26-29-24(22-10-6-3-7-11-22)23(16-27)25(30-26)28-17-20-8-4-2-5-9-20/h2-15H,17-18H2,1H3,(H,28,29,30)