3-ethyl-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-ethyl-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-ethyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-ethyl-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-ethyl-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-ethyl-5H-pyrimid[5,4-b]indol-4-one Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2S/c1-3-18-14(20)13-12(17-15(18)21-8-9(2)19)10-6-4-5-7-11(10)16-13/h4-7,16H,3,8H2,1-2H3