8-fluoranyl-5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-fluoranyl-5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one Openeye Name: 8-fluoro-5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one CAS Name: 8-fluoro-3-(3-mercaptopropyl)-5-methyl-4-pyrimido[5,4-b]indolone IUPAC Name: 8-fluoro-5-methyl-3-(3-sulfanylpropyl)pyrimido[5,4-b]indol-4-one Traditional Name: 8-fluoro-3-(3-mercaptopropyl)-5-methyl-pyrimid[5,4-b]indol-4-one Formula: C14H14FN3OS MolecularWeight: 291.343863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCCS

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=N3)CCCS

InChI

InChI=1S/C14H14FN3OS/c1-17-11-4-3-9(15)7-10(11)12-13(17)14(19)18(8-16-12)5-2-6-20/h3-4,7-8,20H,2,5-6H2,1H3