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

Systemtic Name: 1-(2-methoxyethyl)-4-oxidanylidene-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-(2-methoxyethyl)-4-oxo-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-7-(3-thiophen-2-ylpropyl)-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-7-[3-(2-thienyl)propyl]-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C16H17N4O3S2- MolecularWeight: 377.46118

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

Isomeric SMILES

COCCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CCCC3=CC=CS3

InChI

InChI=1S/C16H18N4O3S2/c1-23-8-7-20-13-12(14(21)19-16(20)22)15(24)18-11(17-13)6-2-4-10-5-3-9-25-10/h3,5,9H,2,4,6-8H2,1H3,(H,17,18,24)(H,19,21,22)/p-1