8-fluoranyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-fluoranyl-3-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 8-fluoro-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-fluoro-3-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 8-fluoro-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-fluoro-3-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-5H-pyrimid[5,4-b]indol-4-one Formula: C21H20FN7O2 MolecularWeight: 421.427603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

InChI

InChI=1S/C21H20FN7O2/c22-14-2-3-16-15(12-14)18-19(26-16)20(31)29(13-25-18)7-4-17(30)27-8-10-28(11-9-27)21-23-5-1-6-24-21/h1-3,5-6,12-13,26H,4,7-11H2