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

Systemtic Name: 4-[[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one hydrochloride Openeye Name: 4-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexanone hydrochloride CAS Name: 4-[[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]amino]-1-cyclohexanone hydrochloride IUPAC Name: 4-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexan-1-one hydrochloride Traditional Name: 4-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclohexanone hydrochloride Formula: C16H18Cl2N4O2 MolecularWeight: 369.24572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1NC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N.Cl

Isomeric SMILES

C1CC(=O)CCC1NC2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N.Cl

InChI

InChI=1S/C16H17ClN4O2.ClH/c17-10-1-7-13(8-2-10)23-14-9-19-16(18)21-15(14)20-11-3-5-12(22)6-4-11;/h1-2,7-9,11H,3-6H2,(H3,18,19,20,21);1H