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

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-phenyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-phenyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-phenyl-5H-pyrimid[5,4-b]indol-4-one Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC6=CC=CC=C64

InChI

InChI=1S/C28H25N5O2S/c34-24(32-17-15-31(16-18-32)20-9-3-1-4-10-20)19-36-28-30-25-22-13-7-8-14-23(22)29-26(25)27(35)33(28)21-11-5-2-6-12-21/h1-14,29H,15-19H2