3-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 7,8-dimethoxy-3-piperonyl-5H-pyrimid[5,4-b]indol-4-one Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H17N3O5/c1-25-15-6-12-13(7-16(15)26-2)22-19-18(12)21-9-23(20(19)24)8-11-3-4-14-17(5-11)28-10-27-14/h3-7,9,22H,8,10H2,1-2H3