6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine

Systemtic Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine Openeye Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine CAS Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-pteridinamine IUPAC Name: 6-(3,4-dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine Traditional Name: [6-(3,4-dimethoxyphenyl)-4-[4-(2-fluorobenzyl)piperazino]pteridin-2-yl]amine Formula: C25H26FN7O2 MolecularWeight: 475.518043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CC5=CC=CC=C5F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N4CCN(CC4)CC5=CC=CC=C5F)OC

InChI

InChI=1S/C25H26FN7O2/c1-34-20-8-7-16(13-21(20)35-2)19-14-28-23-22(29-19)24(31-25(27)30-23)33-11-9-32(10-12-33)15-17-5-3-4-6-18(17)26/h3-8,13-14H,9-12,15H2,1-2H3,(H2,27,28,30,31)