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

Systemtic Name: 3-(2-methoxyethyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(2-methoxyethyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

Isomeric SMILES

COCCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C20H24N4O3S/c1-27-12-11-24-19(26)18-17(14-7-3-4-8-15(14)21-18)22-20(24)28-13-16(25)23-9-5-2-6-10-23/h3-4,7-8,21H,2,5-6,9-13H2,1H3