[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-ethynyl-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-ethynyl-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-ethynyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dibenzoyloxy-3-ethynyl-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxy-3-ethynyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-ethynyl-tetrahydrofuran-2-yl]methyl ester Formula: C32H25N3O8 MolecularWeight: 579.5562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(OC(C1OC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C#CC1(C(OC(C1OC(=O)C2=CC=CC=C2)N3C=CC(=NC3=O)N)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H25N3O8/c1-2-32(43-30(38)23-16-10-5-11-17-23)24(20-40-28(36)21-12-6-3-7-13-21)41-27(35-19-18-25(33)34-31(35)39)26(32)42-29(37)22-14-8-4-9-15-22/h1,3-19,24,26-27H,20H2,(H2,33,34,39)