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

Systemtic Name: cyclohexane; [4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamic acid Openeye Name: cyclohexane; [4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]carbamic acid CAS Name: cyclohexane; [4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]carbamic acid IUPAC Name: cyclohexane; [4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamic acid Traditional Name: cyclohexane; [4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]carbamic acid Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3.C1CCCCC1

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3.C1CCCCC1

InChI

InChI=1S/C17H15N5O2.C6H12/c1-11-4-5-13(20-17(23)24)9-15(11)22-16-19-8-6-14(21-16)12-3-2-7-18-10-12;1-2-4-6-5-3-1/h2-10,20H,1H3,(H,23,24)(H,19,21,22);1-6H2