3-(3,5-dimethylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3,5-dimethylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-keto-2-piperidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)N5CCCCC5)C

InChI

InChI=1S/C25H26N4O2S/c1-16-12-17(2)14-18(13-16)29-24(31)23-22(19-8-4-5-9-20(19)26-23)27-25(29)32-15-21(30)28-10-6-3-7-11-28/h4-5,8-9,12-14,26H,3,6-7,10-11,15H2,1-2H3