2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C(C)C)SC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C(C)C)SC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)OC)C#N

InChI

InChI=1S/C21H22N6O3S2/c1-5-15(18(29)25-21-27-26-19(32-21)11(2)3)31-20-23-16(14(10-22)17(28)24-20)12-7-6-8-13(9-12)30-4/h6-9,11,15H,5H2,1-4H3,(H,23,24,28)(H,25,27,29)