4-(1-methyl-2-methylsulfanyl-pteridin-1-ium-4-yl)morpholine

Systemtic Name: 4-(1-methyl-2-methylsulfanyl-pteridin-1-ium-4-yl)morpholine Openeye Name: 4-(1-methyl-2-methylsulfanyl-pteridin-1-ium-4-yl)morpholine CAS Name: 4-[1-methyl-2-(methylthio)-4-pteridin-1-iumyl]morpholine IUPAC Name: 4-(1-methyl-2-methylsulfanylpteridin-1-ium-4-yl)morpholine Traditional Name: 4-[1-methyl-2-(methylthio)pteridin-1-ium-4-yl]morpholine Formula: C12H16N5OS+ MolecularWeight: 278.35334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N=C(C2=NC=CN=C21)N3CCOCC3)SC

Isomeric SMILES

C[N+]1=C(N=C(C2=NC=CN=C21)N3CCOCC3)SC

InChI

InChI=1S/C12H16N5OS/c1-16-10-9(13-3-4-14-10)11(15-12(16)19-2)17-5-7-18-8-6-17/h3-4H,5-8H2,1-2H3/q+1