2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(cyclohexylamino)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-(cyclohexylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(cyclohexylamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(cyclohexylamino)-2-[(2,6-dichlorophenyl)methylthio]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(cyclohexylamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(cyclohexylamino)-2-[(2,6-dichlorobenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C24H22Cl2N4S MolecularWeight: 469.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22Cl2N4S/c25-20-12-7-13-21(26)19(20)15-31-24-29-22(16-8-3-1-4-9-16)18(14-27)23(30-24)28-17-10-5-2-6-11-17/h1,3-4,7-9,12-13,17H,2,5-6,10-11,15H2,(H,28,29,30)