2-[[2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(6-quinolylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(6-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(quinolin-6-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(6-quinolylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C20H15N5O2/c26-19(27)15-5-1-2-6-17(15)24-18-9-11-22-20(25-18)23-14-7-8-16-13(12-14)4-3-10-21-16/h1-12H,(H,26,27)(H2,22,23,24,25)