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

Systemtic Name: ethyl 9-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]nonanoate Openeye Name: ethyl 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]nonanoate CAS Name: 9-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]nonanoic acid ethyl ester IUPAC Name: ethyl 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]nonanoate Traditional Name: 9-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]pelargonic acid ethyl ester Formula: C23H34N4O4 MolecularWeight: 430.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

Isomeric SMILES

CCOC(=O)CCCCCCCCOC1=CC(=C(C=C1)OC)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C23H34N4O4/c1-3-30-21(28)10-8-6-4-5-7-9-13-31-19-11-12-20(29-2)17(15-19)14-18-16-26-23(25)27-22(18)24/h11-12,15-16H,3-10,13-14H2,1-2H3,(H4,24,25,26,27)