2-methoxy-4-[(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-[(4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-methoxy-6-nitro-phenolate Formula: C15H11N4O5S- MolecularWeight: 359.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CS2)C(=O)N1N=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=CS2)C(=O)N1N=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5S/c1-8-17-14-10(3-4-25-14)15(21)18(8)16-7-9-5-11(19(22)23)13(20)12(6-9)24-2/h3-7,20H,1-2H3/p-1