4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxycyclohexan-1-one

Systemtic Name: 4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxycyclohexan-1-one Openeye Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxycyclohexanone CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]oxy]-1-cyclohexanone IUPAC Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxycyclohexan-1-one Traditional Name: 4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]oxycyclohexanone Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1OC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(=O)CCC1OC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H16ClN3O2/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)22-17(13)24-16-9-7-15(23)8-10-16/h2-3,5-6,11,16H,7-10H2,(H2,20,21,22)