4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(dimethylaminomethyl)cyclohexan-1-ol

Systemtic Name: 4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(dimethylaminomethyl)cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(dimethylaminomethyl)cyclohexanol CAS Name: 4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-(dimethylaminomethyl)-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(dimethylaminomethyl)cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-(dimethylaminomethyl)cyclohexanol Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)O

Isomeric SMILES

CN(C)CC1(CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C27H31N5O2/c1-31(2)17-27(33)14-12-20(13-15-27)32-16-23(24-25(28)29-18-30-26(24)32)19-8-10-22(11-9-19)34-21-6-4-3-5-7-21/h3-11,16,18,20,33H,12-15,17H2,1-2H3,(H2,28,29,30)