1-ethyl-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 1-ethyl-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-ethyl-4-oxo-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-ethyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-ethyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-ethyl-4-keto-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C15H15N4O2S2- MolecularWeight: 347.4352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

Isomeric SMILES

CCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

InChI

InChI=1S/C15H16N4O2S2/c1-2-19-12-11(13(20)18-15(19)21)14(22)17-10(16-12)7-3-5-9-6-4-8-23-9/h4,6,8H,2-3,5,7H2,1H3,(H,16,17,22)(H,18,20,21)/p-1