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

Systemtic Name: 4-(methylamino)-2-[(4-methylphenyl)methylsulfanyl]-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(methylamino)-6-phenyl-2-(p-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 4-(methylamino)-2-[(4-methylphenyl)methylthio]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(methylamino)-2-[(4-methylphenyl)methylsulfanyl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(methylamino)-2-[(4-methylbenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4S/c1-14-8-10-15(11-9-14)13-25-20-23-18(16-6-4-3-5-7-16)17(12-21)19(22-2)24-20/h3-11H,13H2,1-2H3,(H,22,23,24)