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

Systemtic Name: [(2S,5S)-5-[4-azanyl-2-oxidanylidene-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate Openeye Name: [(2S,5S)-5-[4-amino-2-oxo-5-(pentoxymethyl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S,5S)-5-[4-amino-2-oxo-5-(pentoxymethyl)-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5S)-5-[4-amino-2-oxo-5-(pentoxymethyl)pyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S,5S)-5-[4-amino-5-(amoxymethyl)-2-keto-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=CN(C(=O)N=C1N)C2CCC(O2)COC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOCC1=CN(C(=O)N=C1N)[C@@H]2CC[C@H](O2)COC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O5/c1-3-4-5-12-29-14-18-13-26(23(28)25-21(18)24)20-11-10-19(31-20)15-30-22(27)17-8-6-16(2)7-9-17/h6-9,13,19-20H,3-5,10-12,14-15H2,1-2H3,(H2,24,25,28)/t19-,20-/m0/s1