sodium 1-[4-[[4-(tert-butylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylate

Systemtic Name: sodium 1-[4-[[4-(tert-butylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylate Openeye Name: sodium 1-[4-[[4-(tert-butylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylate CAS Name: sodium 1-[4-[[4-(tert-butylamino)-6-phenyl-2-pyrimidinyl]amino]phenyl]-1-cyclobutanecarboxylate IUPAC Name: sodium 1-[4-[[4-(tert-butylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylate Traditional Name: sodium 1-[4-[[4-(tert-butylamino)-6-phenyl-pyrimidin-2-yl]amino]phenyl]cyclobutanecarboxylate Formula: C25H27N4NaO2 MolecularWeight: 438.49725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=C1)C2=CC=CC=C2)NC3=CC=C(C=C3)C4(CCC4)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=C1)C2=CC=CC=C2)NC3=CC=C(C=C3)C4(CCC4)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H28N4O2.Na/c1-24(2,3)29-21-16-20(17-8-5-4-6-9-17)27-23(28-21)26-19-12-10-18(11-13-19)25(22(30)31)14-7-15-25;/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,30,31)(H2,26,27,28,29);/q;+1/p-1