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

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-cyclopropyl-4-oxo-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-cyclopropyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-cyclopropyl-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-cyclopropyl-4-keto-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C(=O)N=C2[O-])C(=S)N=C(N3)CCCC4=CC=CS4

Isomeric SMILES

C1CC1N2C3=C(C(=O)N=C2[O-])C(=S)N=C(N3)CCCC4=CC=CS4

InChI

InChI=1S/C16H16N4O2S2/c21-14-12-13(20(9-6-7-9)16(22)19-14)17-11(18-15(12)23)5-1-3-10-4-2-8-24-10/h2,4,8-9H,1,3,5-7H2,(H,17,18,23)(H,19,21,22)/p-1