3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]propanoic acid

Systemtic Name: 3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]propanoic acid Openeye Name: 3-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]propanoic acid CAS Name: 3-[2-bromo-5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methoxyphenoxy]propanoic acid IUPAC Name: 3-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxyphenoxy]propanoic acid Traditional Name: 3-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]propionic acid Formula: C15H17BrN4O4 MolecularWeight: 397.22388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCC(=O)O)Br

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)OCCC(=O)O)Br

InChI

InChI=1S/C15H17BrN4O4/c1-23-10-5-8(4-9-7-19-15(18)20-14(9)17)6-11(13(10)16)24-3-2-12(21)22/h5-7H,2-4H2,1H3,(H,21,22)(H4,17,18,19,20)