(2S)-2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide

Systemtic Name: (2S)-2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-[[5-cyano-6-(2-furyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]-N-(4-ethylphenyl)propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

InChI

InChI=1S/C20H18N4O3S/c1-3-13-6-8-14(9-7-13)22-18(25)12(2)28-20-23-17(16-5-4-10-27-16)15(11-21)19(26)24-20/h4-10,12H,3H2,1-2H3,(H,22,25)(H,23,24,26)/t12-/m0/s1