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

Systemtic Name: 4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[[bis(2-hydroxyethyl)amino]methyl]cyclohexan-1-ol Openeye Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[[bis(2-hydroxyethyl)amino]methyl]cyclohexanol CAS Name: 4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-[[bis(2-hydroxyethyl)amino]methyl]-1-cyclohexanol IUPAC Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[[bis(2-hydroxyethyl)amino]methyl]cyclohexan-1-ol Traditional Name: 4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-[[bis(2-hydroxyethyl)amino]methyl]cyclohexanol Formula: C29H35N5O4 MolecularWeight: 517.6193

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CN(CCO)CCO)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CN(CCO)CCO)O

InChI

InChI=1S/C29H35N5O4/c30-27-26-25(21-6-8-24(9-7-21)38-23-4-2-1-3-5-23)18-34(28(26)32-20-31-27)22-10-12-29(37,13-11-22)19-33(14-16-35)15-17-36/h1-9,18,20,22,35-37H,10-17,19H2,(H2,30,31,32)