4-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(4-ethylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N5O2/c1-2-12-3-7-14(8-4-12)23-17-16(20)18(22-11-21-17)24-15-9-5-13(6-10-15)19(25)26/h3-11H,2,20H2,1H3,(H,25,26)(H2,21,22,23,24)