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

Systemtic Name: 4-[[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(tert-butylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)NC1=NC=NC(=C1N)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19N5O2/c1-15(2,3)20-13-11(16)12(17-8-18-13)19-10-6-4-9(5-7-10)14(21)22/h4-8H,16H2,1-3H3,(H,21,22)(H2,17,18,19,20)