2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]pyrimidin-4-olate Formula: C15H22N3O3S- MolecularWeight: 324.41848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=O)C=C(N1C2CCCC2)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=O)C=C(N1C2CCCC2)[O-]

InChI

InChI=1S/C15H23N3O3S/c1-3-10(2)16-13(20)9-22-15-17-12(19)8-14(21)18(15)11-6-4-5-7-11/h8,10-11,21H,3-7,9H2,1-2H3,(H,16,20)/p-1/t10-/m0/s1