2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C13H13N5O5S MolecularWeight: 351.33782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H13N5O5S/c1-23-9-4-7(18(21)22)2-3-8(9)15-12(20)6-24-13-16-10(14)5-11(19)17-13/h2-5H,6H2,1H3,(H,15,20)(H3,14,16,17,19)