(2R)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]butanoate IUPAC Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(6-acetamido-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]butyrate Formula: C17H17N4O5S- MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O5S/c1-3-11(16(25)26)27-17-20-13(18-9(2)22)12(15(24)21-17)19-14(23)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,19,23)(H,25,26)(H2,18,20,21,22,24)/p-1/t11-/m1/s1