(2R)-2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoate

Systemtic Name: (2R)-2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoate Openeye Name: (2R)-2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylbutanoate CAS Name: (2R)-2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]butanoate IUPAC Name: (2R)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylbutanoate Traditional Name: (2R)-2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]butyrate Formula: C14H14N3O3S- MolecularWeight: 304.34426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=O)C=C(N1C2=CC=CC=C2)N

Isomeric SMILES

CC[C@H](C(=O)[O-])SC1=NC(=O)C=C(N1C2=CC=CC=C2)N

InChI

InChI=1S/C14H15N3O3S/c1-2-10(13(19)20)21-14-16-12(18)8-11(15)17(14)9-6-4-3-5-7-9/h3-8,10H,2,15H2,1H3,(H,19,20)/p-1/t10-/m1/s1