2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4S2/c17-13-9-14(18)21-16(20-13)27-10-15(23)19-11-2-1-3-12(8-11)28(24,25)22-4-6-26-7-5-22/h1-3,8-9H,4-7,10H2,(H,19,23)(H4,17,18,20,21)