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

Systemtic Name: 4-azanyl-2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2,6-dichlorophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2,6-dichlorophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2,6-dichlorobenzyl)thio]pyrimidine-5-carbonitrile Formula: C12H8Cl2N4S MolecularWeight: 311.18972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(C(=N2)N)C#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(C(=N2)N)C#N)Cl

InChI

InChI=1S/C12H8Cl2N4S/c13-9-2-1-3-10(14)8(9)6-19-12-17-5-7(4-15)11(16)18-12/h1-3,5H,6H2,(H2,16,17,18)