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

Systemtic Name: 1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-isobutyl-4-oxo-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(2-methylpropyl)-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(2-methylpropyl)-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-isobutyl-4-keto-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C17H19N4O2S2- MolecularWeight: 375.48836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S2/c1-10(2)9-21-14-13(15(22)20-17(21)23)16(24)19-12(18-14)7-3-5-11-6-4-8-25-11/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,18,19,24)(H,20,22,23)/p-1