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

Systemtic Name: 6-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]hexanoic acid Openeye Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]hexanoic acid CAS Name: 6-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]hexanoic acid IUPAC Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]hexanoic acid Traditional Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]hexanoic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-25-15-7-6-14(26-8-4-2-3-5-16(23)24)10-12(15)9-13-11-21-18(20)22-17(13)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,23,24)(H4,19,20,21,22)