[(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis[(4-methylphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2R,3R,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis[(4-methylphenyl)carbonyloxy]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-bis[(4-methylbenzoyl)oxy]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-bis[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-bis(p-toluoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C33H31N3O8 MolecularWeight: 597.61454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H31N3O8/c1-19-4-10-22(11-5-19)30(37)41-18-25-27(43-31(38)23-12-6-20(2)7-13-23)28(44-32(39)24-14-8-21(3)9-15-24)29(42-25)36-17-16-26(34)35-33(36)40/h4-17,25,27-29H,18H2,1-3H3,(H2,34,35,40)/t25-,27-,28-,29-/m1/s1