4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

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