N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H19N5O5S/c1-2-30-15-8-6-13(7-9-15)18(26)22-16-17(21)23-20(24-19(16)27)31-11-12-4-3-5-14(10-12)25(28)29/h3-10H,2,11H2,1H3,(H,22,26)(H3,21,23,24,27)