1-azanyl-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate

Systemtic Name: 1-azanyl-4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate Openeye Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarboxylate CAS Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclohexanecarboxylate IUPAC Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexane-1-carboxylate Traditional Name: 1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanecarboxylate Formula: C25H24N5O3- MolecularWeight: 442.48976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(C(=O)[O-])N

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(C(=O)[O-])N

InChI

InChI=1S/C25H25N5O3/c26-22-21-20(16-6-8-19(9-7-16)33-18-4-2-1-3-5-18)14-30(23(21)29-15-28-22)17-10-12-25(27,13-11-17)24(31)32/h1-9,14-15,17H,10-13,27H2,(H,31,32)(H2,26,28,29)/p-1