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

Systemtic Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]-3-(p-tolyl)-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:

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC5=CC=CC=C53

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC5=CC=CC=C53

InChI

InChI=1S/C26H28N4O2S/c1-3-18-8-6-7-15-29(18)22(31)16-33-26-28-23-20-9-4-5-10-21(20)27-24(23)25(32)30(26)19-13-11-17(2)12-14-19/h4-5,9-14,18,27H,3,6-8,15-16H2,1-2H3