4-[3-[[3-(5-azanylpyrimidin-2-yl)phenyl]methyl]-2-oxidanylidene-6H-1,3,4-thiadiazin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[[3-(5-azanylpyrimidin-2-yl)phenyl]methyl]-2-oxidanylidene-6H-1,3,4-thiadiazin-5-yl]benzenecarbonitrile Openeye Name: 4-[3-[[3-(5-aminopyrimidin-2-yl)phenyl]methyl]-2-oxo-6H-1,3,4-thiadiazin-5-yl]benzonitrile CAS Name: 4-[3-[[3-(5-amino-2-pyrimidinyl)phenyl]methyl]-2-oxo-6H-1,3,4-thiadiazin-5-yl]benzonitrile IUPAC Name: 4-[3-[[3-(5-aminopyrimidin-2-yl)phenyl]methyl]-2-oxo-6H-1,3,4-thiadiazin-5-yl]benzonitrile Traditional Name: 4-[3-[3-(5-aminopyrimidin-2-yl)benzyl]-2-keto-6H-1,3,4-thiadiazin-5-yl]benzonitrile Formula: C21H16N6OS MolecularWeight: 400.45634

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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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6OS/c22-9-14-4-6-16(7-5-14)19-13-29-21(28)27(26-19)12-15-2-1-3-17(8-15)20-24-10-18(23)11-25-20/h1-8,10-11H,12-13,23H2