(4-acetyloxy-2,3-dimethoxy-5-pyrimidin-4-ylsulfinyl-naphthalen-1-yl) propanoate

Systemtic Name: (4-acetyloxy-2,3-dimethoxy-5-pyrimidin-4-ylsulfinyl-naphthalen-1-yl) propanoate Openeye Name: (4-acetoxy-2,3-dimethoxy-5-pyrimidin-4-ylsulfinyl-1-naphthyl) propanoate CAS Name: propanoic acid [4-acetyloxy-2,3-dimethoxy-5-(4-pyrimidinylsulfinyl)-1-naphthalenyl] ester IUPAC Name: (4-acetyloxy-2,3-dimethoxy-5-pyrimidin-4-ylsulfinylnaphthalen-1-yl) propanoate Traditional Name: propionic acid [4-acetoxy-2,3-dimethoxy-5-(4-pyrimidylsulfinyl)-1-naphthyl] ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=NC=C3)OC(=O)C)OC)OC

Isomeric SMILES

CCC(=O)OC1=C(C(=C(C2=C1C=CC=C2S(=O)C3=NC=NC=C3)OC(=O)C)OC)OC

InChI

InChI=1S/C21H20N2O7S/c1-5-16(25)30-18-13-7-6-8-14(31(26)15-9-10-22-11-23-15)17(13)19(29-12(2)24)21(28-4)20(18)27-3/h6-11H,5H2,1-4H3