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

Systemtic Name: (4-acetyloxyphenyl) 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: (4-acetoxyphenyl) 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 (4-acetyloxyphenyl) ester IUPAC Name: (4-acetyloxyphenyl) 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 (4-acetoxyphenyl) ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H13N3O5S/c1-8(18)21-9-2-4-10(5-3-9)22-13(20)7-23-14-16-11(15)6-12(19)17-14/h2-6H,7H2,1H3,(H3,15,16,17,19)