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

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-3-4-11-7-14(21)19-16(17-11)25-9-15(22)18-13-8-12(20(23)24)6-5-10(13)2/h5-8H,3-4,9H2,1-2H3,(H,18,22)(H,17,19,21)/p-1