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

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-4-phenyl-6-(prop-2-enylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-6-(prop-2-enylamino)pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-2-[(2,6-dichlorobenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C21H16Cl2N4S MolecularWeight: 427.34954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H16Cl2N4S/c1-2-11-25-20-15(12-24)19(14-7-4-3-5-8-14)26-21(27-20)28-13-16-17(22)9-6-10-18(16)23/h2-10H,1,11,13H2,(H,25,26,27)