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

Systemtic Name: 3-ethyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-ethyl-5H-pyrimid[5,4-b]indol-4-one Formula: C26H28N4O2S MolecularWeight: 460.59112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2S/c1-2-30-25(32)24-23(20-10-6-7-11-21(20)27-24)28-26(30)33-17-22(31)29-14-12-19(13-15-29)16-18-8-4-3-5-9-18/h3-11,19,27H,2,12-17H2,1H3