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

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(phenylcarbonyloxy)-3-prop-1-ynyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-prop-1-ynyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dibenzoyloxy-3-prop-1-ynyl-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dibenzoyloxy-3-prop-1-ynyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dibenzoyloxy-3-prop-1-ynyl-tetrahydrofuran-2-yl]methyl ester Formula: C33H27N3O8 MolecularWeight: 593.58278

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Descriptors Computed from Structure

Canonical SMILES:

CC#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

CC#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/C33H27N3O8/c1-2-19-33(44-31(39)24-16-10-5-11-17-24)25(21-41-29(37)22-12-6-3-7-13-22)42-28(36-20-18-26(34)35-32(36)40)27(33)43-30(38)23-14-8-4-9-15-23/h3-18,20,25,27-28H,21H2,1H3,(H2,34,35,40)