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

Systemtic Name: 7-cyclobutyl-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-cyclobutyl-4-oxo-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-cyclobutyl-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-cyclobutyl-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-cyclobutyl-4-keto-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C3CCC3

Isomeric SMILES

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C3CCC3

InChI

InChI=1S/C13H16N4O2S/c1-2-6-17-10-8(11(18)16-13(17)19)12(20)15-9(14-10)7-4-3-5-7/h7H,2-6H2,1H3,(H,14,15,20)(H,16,18,19)/p-1