(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: (1-carboxy-3-methylsulfanyl-propyl)-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium CAS Name: (2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: (2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)azanium Traditional Name: [1-carboxy-3-(methylthio)propyl]-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)ammonium Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH2+]C(CCSC)C(=O)O)OC3=CC=CC=C32

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH2+]C(CCSC)C(=O)O)OC3=CC=CC=C32

InChI

InChI=1S/C17H19N3O3S/c1-3-13-19-14-10-6-4-5-7-12(10)23-15(14)16(20-13)18-11(17(21)22)8-9-24-2/h4-7,11H,3,8-9H2,1-2H3,(H,21,22)(H,18,19,20)/p+1