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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C23H22N4O2S/c28-19(26-13-7-2-8-14-26)15-30-23-25-20-17-11-5-6-12-18(17)24-21(20)22(29)27(23)16-9-3-1-4-10-16/h1,3-6,9-12,24H,2,7-8,13-15H2