3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(3,4-dimethoxyphenyl)propyl]-8-fluoro-5H-pyrimid[5,4-b]indol-4-one Formula: C21H20FN3O3 MolecularWeight: 381.400203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

InChI

InChI=1S/C21H20FN3O3/c1-27-17-8-5-13(10-18(17)28-2)4-3-9-25-12-23-19-15-11-14(22)6-7-16(15)24-20(19)21(25)26/h5-8,10-12,24H,3-4,9H2,1-2H3