7-tert-butyl-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-tert-butyl-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-tert-butyl-4-oxo-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-tert-butyl-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-tert-butyl-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-tert-butyl-4-keto-1-propyl-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:

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)(C)C

InChI

InChI=1S/C13H18N4O2S/c1-5-6-17-8-7(9(18)15-12(17)19)10(20)16-11(14-8)13(2,3)4/h5-6H2,1-4H3,(H,14,16,20)(H,15,18,19)/p-1