2-[[3-[[4-(2-methoxyphenyl)-6-methyl-pyrimidin-2-yl]amino]phenyl]methylsulfonyl]ethanol

Systemtic Name: 2-[[3-[[4-(2-methoxyphenyl)-6-methyl-pyrimidin-2-yl]amino]phenyl]methylsulfonyl]ethanol Openeye Name: 2-[[3-[[4-(2-methoxyphenyl)-6-methyl-pyrimidin-2-yl]amino]phenyl]methylsulfonyl]ethanol CAS Name: 2-[[3-[[4-(2-methoxyphenyl)-6-methyl-2-pyrimidinyl]amino]phenyl]methylsulfonyl]ethanol IUPAC Name: 2-[[3-[[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]amino]phenyl]methylsulfonyl]ethanol Traditional Name: 2-[3-[[4-(2-methoxyphenyl)-6-methyl-pyrimidin-2-yl]amino]benzyl]sulfonylethanol Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2OC)NC3=CC=CC(=C3)CS(=O)(=O)CCO

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2OC)NC3=CC=CC(=C3)CS(=O)(=O)CCO

InChI

InChI=1S/C21H23N3O4S/c1-15-12-19(18-8-3-4-9-20(18)28-2)24-21(22-15)23-17-7-5-6-16(13-17)14-29(26,27)11-10-25/h3-9,12-13,25H,10-11,14H2,1-2H3,(H,22,23,24)