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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2-chloro-4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide Formula: C14H15ClN6O4S MolecularWeight: 398.8247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN6O4S/c15-9-5-8(21(24)25)1-2-10(9)17-3-4-18-13(23)7-26-14-19-11(16)6-12(22)20-14/h1-2,5-6,17H,3-4,7H2,(H,18,23)(H3,16,19,20,22)