3-[4-[(3-methylsulfonylphenyl)amino]-6-morpholin-4-yl-pyrimidin-2-yl]phenol

Systemtic Name: 3-[4-[(3-methylsulfonylphenyl)amino]-6-morpholin-4-yl-pyrimidin-2-yl]phenol Openeye Name: 3-[4-(3-methylsulfonylanilino)-6-morpholino-pyrimidin-2-yl]phenol CAS Name: 3-[4-(3-methylsulfonylanilino)-6-(4-morpholinyl)-2-pyrimidinyl]phenol IUPAC Name: 3-[4-(3-methylsulfonylanilino)-6-morpholin-4-ylpyrimidin-2-yl]phenol Traditional Name: 3-[4-(3-mesylanilino)-6-morpholino-pyrimidin-2-yl]phenol Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC(=C2)N3CCOCC3)C4=CC(=CC=C4)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC(=C2)N3CCOCC3)C4=CC(=CC=C4)O

InChI

InChI=1S/C21H22N4O4S/c1-30(27,28)18-7-3-5-16(13-18)22-19-14-20(25-8-10-29-11-9-25)24-21(23-19)15-4-2-6-17(26)12-15/h2-7,12-14,26H,8-11H2,1H3,(H,22,23,24)