5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoic acid

Systemtic Name: 5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoic acid Openeye Name: 5-[4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]pentanoic acid CAS Name: 5-[4,5-dimethoxy-2-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]phenyl]pentanoic acid IUPAC Name: 5-[4,5-dimethoxy-2-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]phenyl]pentanoic acid Traditional Name: 5-[4,5-dimethoxy-2-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]phenyl]valeric acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCCCC(=O)O)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCCCC(=O)O)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3)OC

InChI

InChI=1S/C26H27N5O4/c1-34-22-14-18(8-4-6-10-25(32)33)21(15-23(22)35-2)30-26-27-12-11-24(31-26)29-19-13-17-7-3-5-9-20(17)28-16-19/h3,5,7,9,11-16H,4,6,8,10H2,1-2H3,(H,32,33)(H2,27,29,30,31)