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

Systemtic Name: 3-azanyl-2-(2-oxidanylidenepropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 2-acetonylsulfanyl-3-amino-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-amino-2-(2-oxopropylthio)-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-amino-2-(2-oxopropylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 2-(acetonylthio)-3-amino-5H-pyrimid[5,4-b]indol-4-one Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C(=O)N1N)NC3=CC=CC=C32

Isomeric SMILES

CC(=O)CSC1=NC2=C(C(=O)N1N)NC3=CC=CC=C32

InChI

InChI=1S/C13H12N4O2S/c1-7(18)6-20-13-16-10-8-4-2-3-5-9(8)15-11(10)12(19)17(13)14/h2-5,15H,6,14H2,1H3