9-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]nonanoic acid

Systemtic Name: 9-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]nonanoic acid Openeye Name: 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]nonanoic acid CAS Name: 9-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]nonanoic acid IUPAC Name: 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]nonanoic acid Traditional Name: 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]pelargonic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-28-18-10-9-17(29-11-7-5-3-2-4-6-8-19(26)27)13-15(18)12-16-14-24-21(23)25-20(16)22/h9-10,13-14H,2-8,11-12H2,1H3,(H,26,27)(H4,22,23,24,25)