2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethanol

Systemtic Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethanol Openeye Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethanol CAS Name: 2-[5-[[4-[(3-bromophenyl)thio]-2-pyrimidinyl]amino]-2,3-dimethoxyphenoxy]ethanol IUPAC Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxyphenoxy]ethanol Traditional Name: 2-[5-[[4-[(3-bromophenyl)thio]pyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethanol Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)NC2=NC=CC(=N2)SC3=CC(=CC=C3)Br)OCCO)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)NC2=NC=CC(=N2)SC3=CC(=CC=C3)Br)OCCO)OC

InChI

InChI=1S/C20H20BrN3O4S/c1-26-16-11-14(12-17(19(16)27-2)28-9-8-25)23-20-22-7-6-18(24-20)29-15-5-3-4-13(21)10-15/h3-7,10-12,25H,8-9H2,1-2H3,(H,22,23,24)