N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C)C#N)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C)C#N)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-4-18(20(26)25-21-16(11-22)13(2)14(3)27-21)28-19-10-17(23-12-24-19)15-8-6-5-7-9-15/h5-10,12,18H,4H2,1-3H3,(H,25,26)