methoxy-[(5S)-7-methyl-5-(2-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]methanolate

Systemtic Name: methoxy-[(5S)-7-methyl-5-(2-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]methanolate Openeye Name: methoxy-[(5S)-7-methyl-5-(2-nitrophenyl)-4-oxo-2-thioxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]methanolate CAS Name: methoxy-[(5S)-7-methyl-5-(2-nitrophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]methanolate IUPAC Name: methoxy-[(5S)-7-methyl-5-(2-nitrophenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]methanolate Traditional Name: [(5S)-4-keto-7-methyl-5-(2-nitrophenyl)-2-thioxo-1,5-dihydropyrido[2,3-d]pyrimidin-6-ylidene]-methoxy-methanolate Formula: C16H13N4O5S- MolecularWeight: 373.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1=C([O-])OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC(=S)N2

Isomeric SMILES

CC1=NC2=C([C@H](C1=C([O-])OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC(=S)N2

InChI

InChI=1S/C16H14N4O5S/c1-7-10(15(22)25-2)11(8-5-3-4-6-9(8)20(23)24)12-13(17-7)18-16(26)19-14(12)21/h3-6,11,22H,1-2H3,(H2,18,19,21,26)/p-1/t11-/m0/s1