1,3-dimethyl-7-(2-methylpropyl)-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-isobutyl-1,3-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-isobutyl-2-keto-1,3-dimethyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C12H15N4O2S- MolecularWeight: 279.3381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=S)C2=C(N(C(=O)N(C2=N1)C)C)[O-]

Isomeric SMILES

CC(C)CC1=NC(=S)C2=C(N(C(=O)N(C2=N1)C)C)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-6(2)5-7-13-9-8(10(19)14-7)11(17)16(4)12(18)15(9)3/h6,17H,5H2,1-4H3/p-1