2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H19N4O4S- MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H20N4O4S/c1-4-5-12-8-15(22)20-17(18-12)26-9-16(23)19-13-6-10(2)11(3)7-14(13)21(24)25/h6-8H,4-5,9H2,1-3H3,(H,19,23)(H,18,20,22)/p-1