5-chloranyl-N2-(2-ethoxy-4-morpholin-4-yl-phenyl)-N4-(2-methylsulfonylphenyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-chloranyl-N2-(2-ethoxy-4-morpholin-4-yl-phenyl)-N4-(2-methylsulfonylphenyl)pyrimidine-2,4,6-triamine Openeye Name: 5-chloro-N2-(2-ethoxy-4-morpholino-phenyl)-N4-(2-methylsulfonylphenyl)pyrimidine-2,4,6-triamine CAS Name: 5-chloro-N2-[2-ethoxy-4-(4-morpholinyl)phenyl]-N4-(2-methylsulfonylphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-chloro-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-methylsulfonylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-chloro-2-(2-ethoxy-4-morpholino-anilino)pyrimidin-4-yl]-(2-mesylphenyl)amine Formula: C23H27ClN6O4S MolecularWeight: 519.01628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N2CCOCC2)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)N2CCOCC2)NC3=NC(=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C)Cl)N

InChI

InChI=1S/C23H27ClN6O4S/c1-3-34-18-14-15(30-10-12-33-13-11-30)8-9-16(18)27-23-28-21(25)20(24)22(29-23)26-17-6-4-5-7-19(17)35(2,31)32/h4-9,14H,3,10-13H2,1-2H3,(H4,25,26,27,28,29)