ethyl 6-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]hexanoate

Systemtic Name: ethyl 6-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]hexanoate Openeye Name: ethyl 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]hexanoate CAS Name: 6-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]hexanoate Traditional Name: 6-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]hexanoic acid ethyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

InChI

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