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

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-fluoranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-8-fluoro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C22H22FN5 MolecularWeight: 375.441983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN5/c1-14-3-4-15(2)19(11-14)27-7-9-28(10-8-27)22-21-20(24-13-25-22)17-12-16(23)5-6-18(17)26-21/h3-6,11-13,26H,7-10H2,1-2H3