6-azanyl-2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C13H12N4O5S MolecularWeight: 336.32318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5S/c1-22-10-3-2-7(4-8(10)17(20)21)9(18)6-23-13-15-11(14)5-12(19)16-13/h2-5H,6H2,1H3,(H3,14,15,16,19)