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

Systemtic Name: 8-bromanyl-3-[(3,5-dimethoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-bromo-3-[(3,5-dimethoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-bromo-3-[(3,5-dimethoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-bromo-3-[(3,5-dimethoxyphenyl)methyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-3-(3,5-dimethoxybenzyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Br)OC

InChI

InChI=1S/C19H16BrN3O3/c1-25-13-5-11(6-14(8-13)26-2)9-23-10-21-17-15-7-12(20)3-4-16(15)22-18(17)19(23)24/h3-8,10,22H,9H2,1-2H3