3-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3,4-dihydroxyphenyl)ethyl]-8-methoxy-5-methyl-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3,4-dihydroxyphenyl)ethyl]-8-methoxy-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)ethyl]-8-methoxy-5-methylpyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(3,4-dihydroxyphenyl)ethyl]-8-methoxy-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C20H19N3O4/c1-22-15-5-4-13(27-2)10-14(15)18-19(22)20(26)23(11-21-18)8-7-12-3-6-16(24)17(25)9-12/h3-6,9-11,24-25H,7-8H2,1-2H3