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

Systemtic Name: 7-(2,2-dimethylpropyl)-3-methyl-1-(2-methylpropyl)-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-(2,2-dimethylpropyl)-1-isobutyl-3-methyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-(2,2-dimethylpropyl)-3-methyl-1-(2-methylpropyl)-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-(2,2-dimethylpropyl)-3-methyl-1-(2-methylpropyl)-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 1-isobutyl-2-keto-3-methyl-7-neopentyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C16H23N4O2S- MolecularWeight: 335.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NC(=NC(=S)C2=C(N(C1=O)C)[O-])CC(C)(C)C

Isomeric SMILES

CC(C)CN1C2=NC(=NC(=S)C2=C(N(C1=O)C)[O-])CC(C)(C)C

InChI

InChI=1S/C16H24N4O2S/c1-9(2)8-20-12-11(14(21)19(6)15(20)22)13(23)18-10(17-12)7-16(3,4)5/h9,21H,7-8H2,1-6H3/p-1