1-[4-[6-[(4-methylsulfanylphenyl)amino]pyrimidin-4-yl]oxyphenyl]-3-(3-methylsulfonylphenyl)urea

Systemtic Name: 1-[4-[6-[(4-methylsulfanylphenyl)amino]pyrimidin-4-yl]oxyphenyl]-3-(3-methylsulfonylphenyl)urea Openeye Name: 1-[4-[6-(4-methylsulfanylanilino)pyrimidin-4-yl]oxyphenyl]-3-(3-methylsulfonylphenyl)urea CAS Name: 1-(3-methylsulfonylphenyl)-3-[4-[[6-[4-(methylthio)anilino]-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: 1-[4-[6-(4-methylsulfanylanilino)pyrimidin-4-yl]oxyphenyl]-3-(3-methylsulfonylphenyl)urea Traditional Name: 1-(3-mesylphenyl)-3-[4-[6-[4-(methylthio)anilino]pyrimidin-4-yl]oxyphenyl]urea Formula: C25H23N5O4S2 MolecularWeight: 521.61122

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=CC(=NC=N2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=CC(=NC=N2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H23N5O4S2/c1-35-21-12-8-17(9-13-21)28-23-15-24(27-16-26-23)34-20-10-6-18(7-11-20)29-25(31)30-19-4-3-5-22(14-19)36(2,32)33/h3-16H,1-2H3,(H,26,27,28)(H2,29,30,31)