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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C17H22N6O4S2 MolecularWeight: 438.52438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H22N6O4S2/c1-11-2-3-12(8-13(11)29(25,26)23-4-6-27-7-5-23)20-16(24)10-28-17-21-14(18)9-15(19)22-17/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)(H4,18,19,21,22)