7-ethyl-1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-ethyl-1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-ethyl-1-isobutyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-ethyl-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-ethyl-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-ethyl-1-isobutyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C12H15N4O2S- MolecularWeight: 279.3381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CC(C)C

Isomeric SMILES

CCC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CC(C)C

InChI

InChI=1S/C12H16N4O2S/c1-4-7-13-9-8(11(19)14-7)10(17)15-12(18)16(9)5-6(2)3/h6H,4-5H2,1-3H3,(H,13,14,19)(H,15,17,18)/p-1