N4-cyclohexyl-N2-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclohexyl-N2-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-cyclohexyl-N2-(4-morpholinophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: cyclohexyl-[2-(4-morpholinoanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H28N6O MolecularWeight: 392.49732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C22H28N6O/c1-2-4-16(5-3-1)24-21-19-10-11-23-20(19)26-22(27-21)25-17-6-8-18(9-7-17)28-12-14-29-15-13-28/h6-11,16H,1-5,12-15H2,(H3,23,24,25,26,27)