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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NC2=S)CCCC3=CC=CS3)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NC2=S)CCCC3=CC=CS3)N(C1=O)C)[O-]

InChI

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