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

Systemtic Name: 1-[4-[[4-(cyclopentylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid Openeye Name: 1-[4-[[4-(cyclopentylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylic acid CAS Name: 1-[4-[[4-(cyclopentylamino)-6-phenyl-2-pyrimidinyl]amino]phenyl]-1-cyclobutanecarboxylic acid IUPAC Name: 1-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylic acid Traditional Name: 1-[4-[[4-(cyclopentylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylic acid Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)C5(CCC5)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)C5(CCC5)C(=O)O

InChI

InChI=1S/C26H28N4O2/c31-24(32)26(15-6-16-26)19-11-13-21(14-12-19)28-25-29-22(18-7-2-1-3-8-18)17-23(30-25)27-20-9-4-5-10-20/h1-3,7-8,11-14,17,20H,4-6,9-10,15-16H2,(H,31,32)(H2,27,28,29,30)