3-ethyl-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

Systemtic Name: 3-ethyl-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Openeye Name: 3-ethyl-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one CAS Name: 3-ethyl-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-ethyl-2-phenacylsulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Traditional Name: 3-ethyl-2-(phenacylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=C(CCCC3)N=C2N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=CC3=C(CCCC3)N=C2N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-2-24-20(26)16-12-15-10-6-7-11-17(15)22-19(16)23-21(24)27-13-18(25)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3