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

Systemtic Name: ethyl 8-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]octanoate Openeye Name: ethyl 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]octanoate CAS Name: 8-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]octanoic acid ethyl ester IUPAC Name: ethyl 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]octanoate Traditional Name: 8-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]caprylic acid ethyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC(=O)CCCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C22H32N4O4/c1-3-29-20(27)9-7-5-4-6-8-12-30-18-10-11-19(28-2)16(14-18)13-17-15-25-22(24)26-21(17)23/h10-11,14-15H,3-9,12-13H2,1-2H3,(H4,23,24,25,26)