5-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]pentanoic acid

Systemtic Name: 5-[3-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-4-methoxy-phenoxy]pentanoic acid Openeye Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]pentanoic acid CAS Name: 5-[3-[(2,4-diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]pentanoic acid IUPAC Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy]pentanoic acid Traditional Name: 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]valeric acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCCCCC(=O)O)CC2=CN=C(N=C2N)N

Isomeric SMILES

COC1=C(C=C(C=C1)OCCCCC(=O)O)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21)