1-[4-[[4-(cyclobutylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid

Systemtic Name: 1-[4-[[4-(cyclobutylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[4-[[4-(cyclobutylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylic acid CAS Name: 1-[4-[[4-(cyclobutylamino)-6-phenyl-2-pyrimidinyl]amino]phenyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[4-[[4-(cyclobutylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[4-[[4-(cyclobutylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylic acid Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)C5(CCC5)C(=O)O

Isomeric SMILES

C1CC(C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)C5(CCC5)C(=O)O

InChI

InChI=1S/C25H26N4O2/c30-23(31)25(14-5-15-25)18-10-12-20(13-11-18)27-24-28-21(17-6-2-1-3-7-17)16-22(29-24)26-19-8-4-9-19/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H,30,31)(H2,26,27,28,29)