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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-homoveratryl-7-methoxy-5H-pyrimid[5,4-b]indol-4-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=O)N(C=N3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N3O4/c1-26-14-5-6-15-16(11-14)23-20-19(15)22-12-24(21(20)25)9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-12,23H,8-9H2,1-3H3