2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C16H19ClN6O4S2 MolecularWeight: 458.94286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O4S2/c17-11-2-1-10(29(25,26)23-3-5-27-6-4-23)7-12(11)20-15(24)9-28-16-21-13(18)8-14(19)22-16/h1-2,7-8H,3-6,9H2,(H,20,24)(H4,18,19,21,22)