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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC=CC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC/C=C/C3=CC=CC=C3)N)OC

InChI

InChI=1S/C22H22N4O4S/c1-29-16-11-10-15(13-17(16)30-2)20(27)24-18-19(23)25-22(26-21(18)28)31-12-6-9-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,24,27)(H3,23,25,26,28)/b9-6+