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

Systemtic Name: (2R)-2-[(6-azanyl-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: (2R)-2-[(6-amino-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(6-amino-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]propionate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-7(13(21)22)23-14-17-10(15)9(12(20)18-14)16-11(19)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,19)(H,21,22)(H3,15,17,18,20)/p-1/t7-/m1/s1