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

Systemtic Name: 1-(2-methylpropyl)-4-oxidanylidene-7-propan-2-yl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-isobutyl-7-isopropyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(2-methylpropyl)-4-oxo-7-propan-2-yl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(2-methylpropyl)-4-oxo-7-propan-2-yl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-isobutyl-7-isopropyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H17N4O2S- MolecularWeight: 293.36468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)C

InChI

InChI=1S/C13H18N4O2S/c1-6(2)5-17-10-8(11(18)16-13(17)19)12(20)15-9(14-10)7(3)4/h6-7H,5H2,1-4H3,(H,14,15,20)(H,16,18,19)/p-1