4-[4-azanyl-5-(4-azanyl-3-fluoranyl-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one

Systemtic Name: 4-[4-azanyl-5-(4-azanyl-3-fluoranyl-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Openeye Name: 4-[4-amino-5-(4-amino-3-fluoro-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone CAS Name: 4-[4-amino-5-(4-amino-3-fluorophenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[4-amino-5-(4-amino-3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-one Traditional Name: 4-[4-amino-5-(4-amino-3-fluoro-phenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)N)F

Isomeric SMILES

C1CC(=O)CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)N)F

InChI

InChI=1S/C18H18FN5O/c19-14-7-10(1-6-15(14)20)13-8-24(11-2-4-12(25)5-3-11)18-16(13)17(21)22-9-23-18/h1,6-9,11H,2-5,20H2,(H2,21,22,23)