(phenylmethyl) 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H13N3O3S/c14-10-6-11(17)16-13(15-10)20-8-12(18)19-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,14,15,16,17)