4-azanyl-2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]pyrimidine-5-carbonitrile Formula: C14H12F2N4O2S MolecularWeight: 338.332486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CSC2=NC=C(C(=N2)N)C#N)OC(F)F

InChI

InChI=1S/C14H12F2N4O2S/c1-21-11-4-8(2-3-10(11)22-13(15)16)7-23-14-19-6-9(5-17)12(18)20-14/h2-4,6,13H,7H2,1H3,(H2,18,19,20)