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

Systemtic Name: 7-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-(2,2-dimethylpropyl)-1-isobutyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-isobutyl-4-keto-7-neopentyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C15H21N4O2S- MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-8(2)7-19-11-10(12(20)18-14(19)21)13(22)17-9(16-11)6-15(3,4)5/h8H,6-7H2,1-5H3,(H,16,17,22)(H,18,20,21)/p-1