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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(cyclohexylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(cyclohexylamino)-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(cyclohexylamino)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(cyclohexylamino)-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-4-(cyclohexylamino)-6-phenyl-pyrimidine-5-carbonitrile Formula: C24H23ClN4S MolecularWeight: 434.98422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC=CC=C4Cl

InChI

InChI=1S/C24H23ClN4S/c25-21-14-8-7-11-18(21)16-30-24-28-22(17-9-3-1-4-10-17)20(15-26)23(29-24)27-19-12-5-2-6-13-19/h1,3-4,7-11,14,19H,2,5-6,12-13,16H2,(H,27,28,29)