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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-3-ethyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C22H20N4O2S/c1-2-25-21(28)20-19(15-8-4-5-9-16(15)23-20)24-22(25)29-13-18(27)26-12-11-14-7-3-6-10-17(14)26/h3-10,23H,2,11-13H2,1H3