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

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-ethoxyphenyl)-2-[(1S)-1-methylpropyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(4-ethoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[(1S)-1-methylpropyl]thio]-3-p-phenetyl-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-4-14(3)28-22-24-19-17-8-6-7-9-18(17)23-20(19)21(26)25(22)15-10-12-16(13-11-15)27-5-2/h6-14,23H,4-5H2,1-3H3/t14-/m0/s1