7-[4-(2-dimethylaminoethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[4-(2-dimethylaminoethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-(2-dimethylaminoethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-(2-dimethylaminoethyl)cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(2-dimethylaminoethyl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]ethyl-dimethyl-amine Formula: C28H33N5O MolecularWeight: 455.59452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN(C)CCC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H33N5O/c1-32(2)17-16-20-8-12-22(13-9-20)33-18-25(26-27(29)30-19-31-28(26)33)21-10-14-24(15-11-21)34-23-6-4-3-5-7-23/h3-7,10-11,14-15,18-20,22H,8-9,12-13,16-17H2,1-2H3,(H2,29,30,31)