N-[6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H19ClN4O4S/c1-2-30-15-9-5-13(6-10-15)19(28)24-17-18(23)25-21(26-20(17)29)31-11-16(27)12-3-7-14(22)8-4-12/h3-10H,2,11H2,1H3,(H,24,28)(H3,23,25,26,29)