3-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(2-methyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[[2-methyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(2-methyl-6-pyrrolidino-pyrimidin-4-yl)amino]benzoic acid Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=CC(=C2)C(=O)O)N3CCCC3

InChI

InChI=1S/C16H18N4O2/c1-11-17-14(10-15(18-11)20-7-2-3-8-20)19-13-6-4-5-12(9-13)16(21)22/h4-6,9-10H,2-3,7-8H2,1H3,(H,21,22)(H,17,18,19)