5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 5-(2-hydroxy-5-nitro-benzyl)-4-keto-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=S)NC2=O)C=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CC2=C(NC(=S)NC2=O)C=O)O

InChI

InChI=1S/C12H9N3O5S/c16-5-9-8(11(18)14-12(21)13-9)4-6-3-7(15(19)20)1-2-10(6)17/h1-3,5,17H,4H2,(H2,13,14,18,21)