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

Systemtic Name: 3-(2-methoxyethyl)-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-(2-methoxyethyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(2-methoxyethyl)-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(2-methoxyethyl)-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-(2-methoxyethyl)-5H-pyrimid[5,4-b]indol-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

Isomeric SMILES

CC(=O)CSC1=NC2=C(C(=O)N1CCOC)NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S/c1-10(20)9-23-16-18-13-11-5-3-4-6-12(11)17-14(13)15(21)19(16)7-8-22-2/h3-6,17H,7-9H2,1-2H3