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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C15H17ClN6O4S MolecularWeight: 412.85128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCNC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCNC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H17ClN6O4S/c16-10-6-9(22(25)26)2-3-11(10)18-4-1-5-19-14(24)8-27-15-20-12(17)7-13(23)21-15/h2-3,6-7,18H,1,4-5,8H2,(H,19,24)(H3,17,20,21,23)