N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-homoveratryl-amine Formula: C20H19FN4O2 MolecularWeight: 366.388863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2NC4=C3C=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2NC4=C3C=C(C=C4)F)OC

InChI

InChI=1S/C20H19FN4O2/c1-26-16-6-3-12(9-17(16)27-2)7-8-22-20-19-18(23-11-24-20)14-10-13(21)4-5-15(14)25-19/h3-6,9-11,25H,7-8H2,1-2H3,(H,22,23,24)