4-[4-azanyl-6-bromanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol

Systemtic Name: 4-[4-azanyl-6-bromanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(3-benzyloxyphenyl)-6-bromo-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol CAS Name: 4-[4-amino-6-bromo-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanol IUPAC Name: 4-[4-amino-6-bromo-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(3-benzoxyphenyl)-6-bromo-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanol Formula: C25H25BrN4O2 MolecularWeight: 493.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C3=C(C(=C2Br)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=NC=N3)N)O

Isomeric SMILES

C1CC(CCC1N2C3=C(C(=C2Br)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=NC=N3)N)O

InChI

InChI=1S/C25H25BrN4O2/c26-23-21(17-7-4-8-20(13-17)32-14-16-5-2-1-3-6-16)22-24(27)28-15-29-25(22)30(23)18-9-11-19(31)12-10-18/h1-8,13,15,18-19,31H,9-12,14H2,(H2,27,28,29)