3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine Openeye Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine CAS Name: 3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-7-(pyridin-4-ylmethyl)-4-pyrrolo[2,3-d]pyrimidinimine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-imine Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-7-(4-pyridylmethyl)pyrrolo[2,3-d]pyrimidin-4-ylidene]amine Formula: C20H23N7 MolecularWeight: 361.44352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=N)N(C=N2)CCCN3C=CN=C3)CC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=N)N(C=N2)CCCN3C=CN=C3)CC4=CC=NC=C4)C

InChI

InChI=1S/C20H23N7/c1-15-16(2)27(12-17-4-6-22-7-5-17)20-18(15)19(21)26(14-24-20)10-3-9-25-11-8-23-13-25/h4-8,11,13-14,21H,3,9-10,12H2,1-2H3