3-[[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one

Systemtic Name: 3-[[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Openeye Name: 3-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexanone CAS Name: 3-[[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 3-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one Traditional Name: 3-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexanone Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)NC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(CC(=O)C1)NC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H17ClN4O2/c17-10-4-6-13(7-5-10)23-14-9-19-16(18)21-15(14)20-11-2-1-3-12(22)8-11/h4-7,9,11H,1-3,8H2,(H3,18,19,20,21)