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

Systemtic Name: 4-[[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-one Openeye Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanone CAS Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-1-cyclohexanone IUPAC Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-one Traditional Name: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexanone Formula: C18H17ClN4O MolecularWeight: 340.80678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CC(=O)CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H17ClN4O/c19-14-5-2-12(3-6-14)1-4-13-11-21-18(20)23-17(13)22-15-7-9-16(24)10-8-15/h2-3,5-6,11,15H,7-10H2,(H3,20,21,22,23)