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

Systemtic Name: 1-methyl-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-methyl-4-oxo-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-methyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-methyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-methyl-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C14H13N4O2S2- MolecularWeight: 333.40862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

InChI

InChI=1S/C14H14N4O2S2/c1-18-11-10(12(19)17-14(18)20)13(21)16-9(15-11)6-2-4-8-5-3-7-22-8/h3,5,7H,2,4,6H2,1H3,(H,15,16,21)(H,17,19,20)/p-1