cyclohexane; [3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]carbamic acid

Systemtic Name: cyclohexane; [3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]carbamic acid Openeye Name: cyclohexane; [3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]carbamic acid CAS Name: cyclohexane; [3-[(4-pyridin-4-yl-2-pyrimidinyl)amino]phenyl]carbamic acid IUPAC Name: cyclohexane; [3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]carbamic acid Traditional Name: cyclohexane; [3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]carbamic acid Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC1.C1=CC(=CC(=C1)NC(=O)O)NC2=NC=CC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1CCCCC1.C1=CC(=CC(=C1)NC(=O)O)NC2=NC=CC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H13N5O2.C6H12/c22-16(23)20-13-3-1-2-12(10-13)19-15-18-9-6-14(21-15)11-4-7-17-8-5-11;1-2-4-6-5-3-1/h1-10,20H,(H,22,23)(H,18,19,21);1-6H2