N-[4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]phenyl]-2-bromanyl-ethanamide

Systemtic Name: N-[4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]phenyl]-2-bromanyl-ethanamide Openeye Name: 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]phenyl]acetamide CAS Name: 2-bromo-N-[4-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide IUPAC Name: 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]phenyl]acetamide Traditional Name: 2-bromo-N-[4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]phenyl]acetamide Formula: C21H22BrN5O4 MolecularWeight: 488.33448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC2=CC=C(C=C2)NC(=O)CBr)OC)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC2=CC=C(C=C2)NC(=O)CBr)OC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H22BrN5O4/c1-29-16-8-12(7-13-11-25-21(24)27-20(13)23)9-17(30-2)19(16)31-15-5-3-14(4-6-15)26-18(28)10-22/h3-6,8-9,11H,7,10H2,1-2H3,(H,26,28)(H4,23,24,25,27)