2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-chloro-5-morpholinosulfonyl-phenyl)acetamide Formula: C16H18ClN5O5S2 MolecularWeight: 459.92762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C16H18ClN5O5S2/c17-11-2-1-10(29(25,26)22-3-5-27-6-4-22)7-12(11)19-15(24)9-28-16-20-13(18)8-14(23)21-16/h1-2,7-8H,3-6,9H2,(H,19,24)(H3,18,20,21,23)