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

Systemtic Name: 3-(2-methoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-(2-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyphenyl)-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyphenyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-(2-methoxyphenyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

Isomeric SMILES

CC(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)NC4=CC=CC=C42

InChI

InChI=1S/C20H17N3O3S/c1-12(24)11-27-20-22-17-13-7-3-4-8-14(13)21-18(17)19(25)23(20)15-9-5-6-10-16(15)26-2/h3-10,21H,11H2,1-2H3