N4-(4-chloranyl-2-fluoranyl-phenyl)-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(4-chloranyl-2-fluoranyl-phenyl)-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(4-chloro-2-fluoro-phenyl)-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(4-chloro-2-fluorophenyl)-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(4-chloro-2-fluorophenyl)-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-phenethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-(4-chloro-2-fluoro-phenyl)amine Formula: C20H19ClFN5 MolecularWeight: 383.849763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C1C(=NC(=N2)N)NC3=C(C=C(C=C3)Cl)F)CCC4=CC=CC=C4

Isomeric SMILES

C1C(NC2=C1C(=NC(=N2)N)NC3=C(C=C(C=C3)Cl)F)CCC4=CC=CC=C4

InChI

InChI=1S/C20H19ClFN5/c21-13-7-9-17(16(22)10-13)25-19-15-11-14(24-18(15)26-20(23)27-19)8-6-12-4-2-1-3-5-12/h1-5,7,9-10,14H,6,8,11H2,(H4,23,24,25,26,27)