4-[[[5-(pentanoylamino)-6-phenylmethoxy-pyrimidin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[5-(pentanoylamino)-6-phenylmethoxy-pyrimidin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-benzyloxy-5-(pentanoylamino)pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[5-(1-oxopentylamino)-6-phenylmethoxy-4-pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-(pentanoylamino)-6-phenylmethoxypyrimidin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[6-benzoxy-5-(valerylamino)pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(N=CN=C1OCC2=CC=CC=C2)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)NC1=C(N=CN=C1OCC2=CC=CC=C2)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H26N4O4/c1-2-3-9-20(29)28-21-22(25-14-17-10-12-19(13-11-17)24(30)31)26-16-27-23(21)32-15-18-7-5-4-6-8-18/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,28,29)(H,30,31)(H,25,26,27)