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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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