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

Systemtic Name: 5-chloranyl-N2-(2-ethoxy-4-morpholin-4-yl-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Openeye Name: 5-chloro-N2-(2-ethoxy-4-morpholino-phenyl)-N4-(2-isopropylsulfonylphenyl)pyrimidine-2,4,6-triamine CAS Name: 5-chloro-N2-[2-ethoxy-4-(4-morpholinyl)phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-chloro-2-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-chloro-2-(2-ethoxy-4-morpholino-anilino)pyrimidin-4-yl]-(2-isopropylsulfonylphenyl)amine Formula: C25H31ClN6O4S MolecularWeight: 547.06944

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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(C)C)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN6O4S/c1-4-36-20-15-17(32-11-13-35-14-12-32)9-10-18(20)29-25-30-23(27)22(26)24(31-25)28-19-7-5-6-8-21(19)37(33,34)16(2)3/h5-10,15-16H,4,11-14H2,1-3H3,(H4,27,28,29,30,31)