[(2S,5S)-5-[4-azanyl-2-oxidanylidene-5-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [(2S,5S)-5-[4-azanyl-2-oxidanylidene-5-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2S,5S)-5-[4-amino-5-(benzyloxymethyl)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S,5S)-5-[4-amino-2-oxo-5-(phenylmethoxymethyl)-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-[4-amino-2-oxo-5-(phenylmethoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S,5S)-5-[4-amino-5-(benzoxymethyl)-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2CCC(O2)N3C=C(C(=NC3=O)N)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC[C@@H]2CC[C@H](O2)N3C=C(C(=NC3=O)N)COCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-17-7-9-19(10-8-17)24(29)32-16-21-11-12-22(33-21)28-13-20(23(26)27-25(28)30)15-31-14-18-5-3-2-4-6-18/h2-10,13,21-22H,11-12,14-16H2,1H3,(H2,26,27,30)/t21-,22-/m0/s1