8-fluoranyl-4-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-fluoranyl-4-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-fluoro-4-[(3S)-4-(3-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=CC=C2)OC)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

Isomeric SMILES

C[C@H]1CN(CCN1C2=CC(=CC=C2)OC)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H22FN5O/c1-14-12-27(8-9-28(14)16-4-3-5-17(11-16)29-2)22-21-20(24-13-25-22)18-10-15(23)6-7-19(18)26-21/h3-7,10-11,13-14,26H,8-9,12H2,1-2H3/t14-/m0/s1