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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoranyl-N-methyl-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-N-methyl-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-homoveratryl-methyl-amine Formula: C21H21FN4O2 MolecularWeight: 380.415443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2/c1-26(9-8-13-4-7-17(27-2)18(10-13)28-3)21-20-19(23-12-24-21)15-11-14(22)5-6-16(15)25-20/h4-7,10-12,25H,8-9H2,1-3H3