3-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(3-ethoxy-4-methoxy-phenyl)ethyl]-8-fluoro-5H-pyrimid[5,4-b]indol-4-one Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

InChI

InChI=1S/C21H20FN3O3/c1-3-28-18-10-13(4-7-17(18)27-2)8-9-25-12-23-19-15-11-14(22)5-6-16(15)24-20(19)21(25)26/h4-7,10-12,24H,3,8-9H2,1-2H3