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

Systemtic Name: 4-oxidanylidene-1-propyl-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 4-oxo-1-propyl-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 4-oxo-1-propyl-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 4-oxo-1-propyl-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-propyl-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C16H17N4O2S2- MolecularWeight: 361.46178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

Isomeric SMILES

CCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

InChI

InChI=1S/C16H18N4O2S2/c1-2-8-20-13-12(14(21)19-16(20)22)15(23)18-11(17-13)7-3-5-10-6-4-9-24-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,17,18,23)(H,19,21,22)/p-1