2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)acetamide Formula: C20H27N7O4S2 MolecularWeight: 493.60288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C20H27N7O4S2/c21-17-12-18(22)25-20(24-17)32-13-19(28)23-15-11-14(3-4-16(15)26-5-1-2-6-26)33(29,30)27-7-9-31-10-8-27/h3-4,11-12H,1-2,5-10,13H2,(H,23,28)(H4,21,22,24,25)