5-[methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-methyl-carbamoyl]-2-nitro-phenolate Formula: C15H11N4O5S- MolecularWeight: 359.33664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H12N4O5S/c1-18(7-12-16-9-4-5-25-13(9)14(21)17-12)15(22)8-2-3-10(19(23)24)11(20)6-8/h2-6,20H,7H2,1H3,(H,16,17,21)/p-1