6-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]hexanoic acid

Systemtic Name: 6-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2-bromanyl-3-methoxy-phenoxy]hexanoic acid Openeye Name: 6-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]hexanoic acid CAS Name: 6-[2-bromo-5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methoxyphenoxy]hexanoic acid IUPAC Name: 6-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxyphenoxy]hexanoic acid Traditional Name: 6-[2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-phenoxy]hexanoic acid Formula: C18H23BrN4O4 MolecularWeight: 439.30362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN4O4/c1-26-13-8-11(7-12-10-22-18(21)23-17(12)20)9-14(16(13)19)27-6-4-2-3-5-15(24)25/h8-10H,2-7H2,1H3,(H,24,25)(H4,20,21,22,23)