N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN5O4S/c1-15-12-21(30)27(16-6-3-2-4-7-16)22(26-15)33-14-20(29)25-11-5-10-24-19-9-8-17(28(31)32)13-18(19)23/h2-4,6-9,12-13,24H,5,10-11,14H2,1H3,(H,25,29)