4-[(5-azanyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-azanyl-6-naphthalen-2-yloxy-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5-amino-6-(2-naphthyloxy)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(2-naphthalenyloxy)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-amino-6-(2-naphthoxy)pyrimidin-4-yl]amino]benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3N)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3N)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N4O3/c22-18-19(25-16-8-5-14(6-9-16)21(26)27)23-12-24-20(18)28-17-10-7-13-3-1-2-4-15(13)11-17/h1-12H,22H2,(H,26,27)(H,23,24,25)