4-azanyl-2-[2-[2,6-bis(chloranyl)phenoxy]ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[2,6-bis(chloranyl)phenoxy]ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(2,6-dichlorophenoxy)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(2,6-dichlorophenoxy)ethylthio]pyrimidine-5-carbonitrile Formula: C13H10Cl2N4OS MolecularWeight: 341.2157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)OCCSC2=NC=C(C(=N2)N)C#N)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)OCCSC2=NC=C(C(=N2)N)C#N)Cl

InChI

InChI=1S/C13H10Cl2N4OS/c14-9-2-1-3-10(15)11(9)20-4-5-21-13-18-7-8(6-16)12(17)19-13/h1-3,7H,4-5H2,(H2,17,18,19)