8-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-bromo-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-3-homoveratryl-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)OC

InChI

InChI=1S/C20H18BrN3O3/c1-26-16-6-3-12(9-17(16)27-2)7-8-24-11-22-18-14-10-13(21)4-5-15(14)23-19(18)20(24)25/h3-6,9-11,23H,7-8H2,1-2H3