3-[[3-(5-azanylpyrimidin-2-yl)phenyl]methyl]-5-[3,5-bis(fluoranyl)phenyl]-6H-1,3,4-thiadiazin-2-one

Systemtic Name: 3-[[3-(5-azanylpyrimidin-2-yl)phenyl]methyl]-5-[3,5-bis(fluoranyl)phenyl]-6H-1,3,4-thiadiazin-2-one Openeye Name: 3-[[3-(5-aminopyrimidin-2-yl)phenyl]methyl]-5-(3,5-difluorophenyl)-6H-1,3,4-thiadiazin-2-one CAS Name: 3-[[3-(5-amino-2-pyrimidinyl)phenyl]methyl]-5-(3,5-difluorophenyl)-6H-1,3,4-thiadiazin-2-one IUPAC Name: 3-[[3-(5-aminopyrimidin-2-yl)phenyl]methyl]-5-(3,5-difluorophenyl)-6H-1,3,4-thiadiazin-2-one Traditional Name: 3-[3-(5-aminopyrimidin-2-yl)benzyl]-5-(3,5-difluorophenyl)-6H-1,3,4-thiadiazin-2-one Formula: C20H15F2N5OS MolecularWeight: 411.427806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C(=O)S1)CC2=CC=CC(=C2)C3=NC=C(C=N3)N)C4=CC(=CC(=C4)F)F

Isomeric SMILES

C1C(=NN(C(=O)S1)CC2=CC=CC(=C2)C3=NC=C(C=N3)N)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C20H15F2N5OS/c21-15-5-14(6-16(22)7-15)18-11-29-20(28)27(26-18)10-12-2-1-3-13(4-12)19-24-8-17(23)9-25-19/h1-9H,10-11,23H2