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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7,8-dimethoxy-3-veratryl-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=C(C2=O)NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C21H21N3O5/c1-26-15-6-5-12(7-16(15)27-2)10-24-11-22-19-13-8-17(28-3)18(29-4)9-14(13)23-20(19)21(24)25/h5-9,11,23H,10H2,1-4H3