[(2S,5S)-5-[4-(2-methylpropanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl 4-phenylbenzoate

Systemtic Name: [(2S,5S)-5-[4-(2-methylpropanoylamino)-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl 4-phenylbenzoate Openeye Name: [(2S,5S)-5-[4-(2-methylpropanoylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(2S,5S)-5-[4-[(2-methyl-1-oxopropyl)amino]-2-oxo-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-[4-(2-methylpropanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(2S,5S)-5-[4-(isobutyrylamino)-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](O2)COC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5/c1-17(2)24(30)27-22-14-15-29(26(32)28-22)23-13-12-21(34-23)16-33-25(31)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,14-15,17,21,23H,12-13,16H2,1-2H3,(H,27,28,30,32)/t21-,23-/m0/s1