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

Systemtic Name: 7-(2,2-dimethylpropyl)-4-oxidanylidene-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-(2,2-dimethylpropyl)-4-oxo-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(2,2-dimethylpropyl)-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(2,2-dimethylpropyl)-4-oxo-1-propyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-7-neopentyl-1-propyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C14H19N4O2S- MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-5-6-18-10-9(11(19)17-13(18)20)12(21)16-8(15-10)7-14(2,3)4/h5-7H2,1-4H3,(H,15,16,21)(H,17,19,20)/p-1