2-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H26N3O4S2- MolecularWeight: 400.53604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NC(=CC(=N2)[O-])CCC

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC(=CC(=N2)[O-])CCC

InChI

InChI=1S/C17H27N3O4S2/c1-3-5-8-20(14-7-9-26(23,24)12-14)16(22)11-25-17-18-13(6-4-2)10-15(21)19-17/h10,14H,3-9,11-12H2,1-2H3,(H,18,19,21)/p-1/t14-/m0/s1