(5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-4-olate

Systemtic Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-4-olate Openeye Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-6-oxo-2-thioxo-5H-pyrimidin-4-olate CAS Name: (5S)-1-cyclopropyl-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-6-oxo-2-sulfanylidene-5H-pyrimidin-4-olate IUPAC Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-6-oxo-2-sulfanylidene-5H-pyrimidin-4-olate Traditional Name: (5S)-1-cyclopropyl-6-keto-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-thioxo-5H-pyrimidin-4-olate Formula: C14H20N4O3S MolecularWeight: 324.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(C(=NC2=S)[O-])C=NCC[NH+]3CCOCC3

Isomeric SMILES

C1CC1N2C(=O)[C@H](C(=NC2=S)[O-])C=NCC[NH+]3CCOCC3

InChI

InChI=1S/C14H20N4O3S/c19-12-11(9-15-3-4-17-5-7-21-8-6-17)13(20)18(10-1-2-10)14(22)16-12/h9-11H,1-8H2,(H,16,19,22)/t11-/m0/s1