6-methyl-5-[3-oxidanylidene-3-[[(2S)-pentan-2-yl]amino]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-oxidanylidene-3-[[(2S)-pentan-2-yl]amino]propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-[[(1S)-1-methylbutyl]amino]-3-oxo-propyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[3-oxo-3-[[(2S)-pentan-2-yl]amino]propyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-oxo-3-[[(2S)-pentan-2-yl]amino]propyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-keto-3-[[(1S)-1-methylbutyl]amino]propyl]-6-methyl-pyrimidin-4-olate Formula: C20H26N3O2S- MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

Isomeric SMILES

CCC[C@H](C)NC(=O)CCC1=C(N=C(N=C1[O-])SCC2=CC=CC=C2)C

InChI

InChI=1S/C20H27N3O2S/c1-4-8-14(2)21-18(24)12-11-17-15(3)22-20(23-19(17)25)26-13-16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,21,24)(H,22,23,25)/p-1/t14-/m0/s1