N6-[2-(7-fluoranyl-2,4-dimethyl-1H-indol-3-yl)ethyl]-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(7-fluoranyl-2,4-dimethyl-1H-indol-3-yl)ethyl]-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl-[6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C28H26FN5O MolecularWeight: 467.537343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC3=NC=NC(=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC3=NC=NC(=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H26FN5O/c1-18-8-13-24(29)28-27(18)23(19(2)33-28)14-15-30-25-16-26(32-17-31-25)34-20-9-11-22(12-10-20)35-21-6-4-3-5-7-21/h3-13,16-17,33H,14-15H2,1-2H3,(H2,30,31,32,34)