7-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]heptanoic acid

Systemtic Name: 7-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]heptanoic acid Openeye Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]heptanoic acid CAS Name: 7-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]heptanoic acid IUPAC Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]heptanoic acid Traditional Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]enanthic acid Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4/c1-26-16-8-7-15(27-9-5-3-2-4-6-17(24)25)11-13(16)10-14-12-22-19(21)23-18(14)20/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)(H4,20,21,22,23)