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

Systemtic Name: ethyl 7-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]heptanoate Openeye Name: ethyl 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]heptanoate CAS Name: 7-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]heptanoate Traditional Name: 7-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]enanthic acid ethyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC(=O)CCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

InChI

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