2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C12H10ClN5O4S MolecularWeight: 355.7569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H10ClN5O4S/c13-7-2-1-6(3-8(7)18(21)22)15-11(20)5-23-12-16-9(14)4-10(19)17-12/h1-4H,5H2,(H,15,20)(H3,14,16,17,19)