N2-[2-(6-fluoranyl-1H-indol-3-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(6-fluoranyl-1H-indol-3-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine Openeye Name: N2-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine CAS Name: N2-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N4-(1-phenylethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine Traditional Name: 2-(6-fluoro-1H-indol-3-yl)ethyl-[4-(1-phenylethylamino)pyrimidin-2-yl]amine Formula: C22H22FN5 MolecularWeight: 375.441983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=CNC4=C3C=CC(=C4)F

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC(=NC=C2)NCCC3=CNC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H22FN5/c1-15(16-5-3-2-4-6-16)27-21-10-12-25-22(28-21)24-11-9-17-14-26-20-13-18(23)7-8-19(17)20/h2-8,10,12-15,26H,9,11H2,1H3,(H2,24,25,27,28)