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

Systemtic Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(1S)-1-methylpropyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[(2S)-butan-2-yl]thio]-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[(2S)-butan-2-yl]sulfanyl-3-(3,5-dimethylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[(1S)-1-methylpropyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-5-15(4)27-22-24-19-17-8-6-7-9-18(17)23-20(19)21(26)25(22)16-11-13(2)10-14(3)12-16/h6-12,15,23H,5H2,1-4H3/t15-/m0/s1