6-methyl-5-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-[(2-methyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-5-[3-(2-methyl-3-nitro-anilino)-3-oxo-propyl]-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-5-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-methyl-5-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-keto-3-(2-methyl-3-nitro-anilino)propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC2=C(N=C(N=C2[O-])SC)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCC2=C(N=C(N=C2[O-])SC)C

InChI

InChI=1S/C16H18N4O4S/c1-9-12(5-4-6-13(9)20(23)24)18-14(21)8-7-11-10(2)17-16(25-3)19-15(11)22/h4-6H,7-8H2,1-3H3,(H,18,21)(H,17,19,22)/p-1