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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC=CC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC/C=C/C3=CC=CC=C3)N

InChI

InChI=1S/C21H20N4O2S/c1-14-9-11-16(12-10-14)19(26)23-17-18(22)24-21(25-20(17)27)28-13-5-8-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,26)(H3,22,24,25,27)/b8-5+