N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C20H16F2N4O2S MolecularWeight: 414.428446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H16F2N4O2S/c21-14-9-8-13(11-15(14)22)18(27)24-16-17(23)25-20(26-19(16)28)29-10-4-7-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,27)(H3,23,25,26,28)/b7-4+