2-[3-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]propoxy]benzoic acid

Systemtic Name: 2-[3-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenyl]propoxy]benzoic acid Openeye Name: 2-[3-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]propoxy]benzoic acid CAS Name: 2-[3-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenyl]propoxy]benzoic acid IUPAC Name: 2-[3-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenyl]propoxy]benzoic acid Traditional Name: 2-[3-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]propoxy]benzoic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCOC2=CC=CC=C2C(=O)O)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=C(C=C(C=C1)CCCOC2=CC=CC=C2C(=O)O)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C22H24N4O4/c1-29-18-9-8-14(11-15(18)12-16-13-25-22(24)26-20(16)23)5-4-10-30-19-7-3-2-6-17(19)21(27)28/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,27,28)(H4,23,24,25,26)