2-[(2-azanyl-6-methyl-5-propyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-azanyl-6-methyl-5-propyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-amino-6-methyl-5-propyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-amino-6-methyl-5-propyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-amino-6-methyl-5-propylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-amino-6-methyl-5-propyl-pyrimidin-4-yl)amino]benzoic acid Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(N=C1NC2=CC=CC=C2C(=O)O)N)C

Isomeric SMILES

CCCC1=C(N=C(N=C1NC2=CC=CC=C2C(=O)O)N)C

InChI

InChI=1S/C15H18N4O2/c1-3-6-10-9(2)17-15(16)19-13(10)18-12-8-5-4-7-11(12)14(20)21/h4-5,7-8H,3,6H2,1-2H3,(H,20,21)(H3,16,17,18,19)