N2-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-N2-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-2-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine Traditional Name: benzyl-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]amine Formula: C21H20FN5 MolecularWeight: 361.415403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H20FN5/c22-17-6-7-19-18(12-17)16(14-25-19)8-10-23-21-24-11-9-20(27-21)26-13-15-4-2-1-3-5-15/h1-7,9,11-12,14,25H,8,10,13H2,(H2,23,24,26,27)