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

Systemtic Name: 3-methyl-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-methyl-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-methyl-4-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-methyl-4-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzoic acid Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H17N5O2/c1-13-10-15(20(27)28)6-7-17(13)25-21-22-9-8-19(26-21)24-16-11-14-4-2-3-5-18(14)23-12-16/h2-12H,1H3,(H,27,28)(H2,22,24,25,26)