2-[(2S)-butan-2-yl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-fluorophenyl)-2-[(1S)-1-methylpropyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-fluorophenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[(1S)-1-methylpropyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H18FN3OS MolecularWeight: 367.439823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)F)NC4=CC=CC=C42

Isomeric SMILES

CC[C@H](C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)F)NC4=CC=CC=C42

InChI

InChI=1S/C20H18FN3OS/c1-3-12(2)26-20-23-17-15-6-4-5-7-16(15)22-18(17)19(25)24(20)14-10-8-13(21)9-11-14/h4-12,22H,3H2,1-2H3/t12-/m0/s1