2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-methyl-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC(=C(C(=N1)[O-])CC2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O2S/c1-4-12(2)19-16(22)11-24-18-20-13(3)15(17(23)21-18)10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,19,22)(H,20,21,23)/p-1/t12-/m0/s1