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

Systemtic Name: 3-ethyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-ethyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-ethyl-2-[(2-keto-2-piperidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C19H22N4O2S/c1-2-23-18(25)17-16(13-8-4-5-9-14(13)20-17)21-19(23)26-12-15(24)22-10-6-3-7-11-22/h4-5,8-9,20H,2-3,6-7,10-12H2,1H3