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

Systemtic Name: 7-(cyclopentylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-(cyclopentylmethyl)-1-isobutyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(cyclopentylmethyl)-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(cyclopentylmethyl)-1-(2-methylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-(cyclopentylmethyl)-1-isobutyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C16H21N4O2S- MolecularWeight: 333.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CC3CCCC3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)CC3CCCC3

InChI

InChI=1S/C16H22N4O2S/c1-9(2)8-20-13-12(14(21)19-16(20)22)15(23)18-11(17-13)7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,18,23)(H,19,21,22)/p-1