8-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]octanoic acid

Systemtic Name: 8-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]octanoic acid Openeye Name: 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]octanoic acid CAS Name: 8-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]octanoic acid IUPAC Name: 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]octanoic acid Traditional Name: 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]caprylic acid Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-27-17-9-8-16(28-10-6-4-2-3-5-7-18(25)26)12-14(17)11-15-13-23-20(22)24-19(15)21/h8-9,12-13H,2-7,10-11H2,1H3,(H,25,26)(H4,21,22,23,24)