4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-8-fluoro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C21H19ClFN5 MolecularWeight: 395.860463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

InChI

InChI=1S/C21H19ClFN5/c1-13-2-3-14(22)10-18(13)27-6-8-28(9-7-27)21-20-19(24-12-25-21)16-11-15(23)4-5-17(16)26-20/h2-5,10-12,26H,6-9H2,1H3