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

Systemtic Name: (2R)-2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]hexanoate Openeye Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate CAS Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]hexanoate IUPAC Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]hexanoate Traditional Name: (2R)-2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]hexanoate Formula: C17H19N4O4S- MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-2-3-9-11(16(24)25)26-17-20-13(18)12(15(23)21-17)19-14(22)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,19,22)(H,24,25)(H3,18,20,21,23)/p-1/t11-/m1/s1