6-methyl-2-[(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[(1S)-1-[(4-phenylthiazol-2-yl)carbamoyl]propyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[(2S)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 6-methyl-2-[[(1S)-1-[(4-phenylthiazol-2-yl)carbamoyl]propyl]thio]pyrimidin-4-olate Formula: C18H17N4O2S2- MolecularWeight: 385.48318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CC[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C18H18N4O2S2/c1-3-14(26-18-19-11(2)9-15(23)21-18)16(24)22-17-20-13(10-25-17)12-7-5-4-6-8-12/h4-10,14H,3H2,1-2H3,(H,19,21,23)(H,20,22,24)/p-1/t14-/m0/s1