3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C22H23N3O5/c1-27-16-6-5-13(9-17(16)28-2)7-8-25-12-23-20-14-10-18(29-3)19(30-4)11-15(14)24-21(20)22(25)26/h5-6,9-12,24H,7-8H2,1-4H3