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

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-2-12-30-24(32)23-22(19-10-6-7-11-20(19)26-23)27-25(30)33-17-21(31)29-15-13-28(14-16-29)18-8-4-3-5-9-18/h2-11,26H,1,12-17H2