[5-[4-(butanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-butanoyloxy-4-oxidanyl-oxolan-2-yl]methyl butanoate

Systemtic Name: [5-[4-(butanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-butanoyloxy-4-oxidanyl-oxolan-2-yl]methyl butanoate Openeye Name: [5-[4-(butanoylamino)-2-oxo-pyrimidin-1-yl]-3-butanoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl butanoate CAS Name: butanoic acid [4-hydroxy-3-(1-oxobutoxy)-5-[2-oxo-4-(1-oxobutylamino)-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-3-butanoyloxy-4-hydroxyoxolan-2-yl]methyl butanoate Traditional Name: butyric acid [5-(4-butyramido-2-keto-pyrimidin-1-yl)-3-butyryloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(=O)CCC)OC(=O)CCC)O

Isomeric SMILES

CCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)COC(=O)CCC)OC(=O)CCC)O

InChI

InChI=1S/C21H31N3O8/c1-4-7-15(25)22-14-10-11-24(21(29)23-14)20-18(28)19(32-17(27)9-6-3)13(31-20)12-30-16(26)8-5-2/h10-11,13,18-20,28H,4-9,12H2,1-3H3,(H,22,23,25,29)