2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]ethanal

Systemtic Name: 2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]ethanal Openeye Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetaldehyde CAS Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]acetaldehyde IUPAC Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetaldehyde Traditional Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetaldehyde Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC=O)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CC=O)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c27-25-24-23(19-8-12-22(13-9-19)32-21-4-2-1-3-5-21)16-30(26(24)29-17-28-25)20-10-6-18(7-11-20)14-15-31/h1-5,8-9,12-13,15-18,20H,6-7,10-11,14H2,(H2,27,28,29)