12-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-12-oxidanylidene-dodecanoic acid

Systemtic Name: 12-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-12-oxidanylidene-dodecanoic acid Openeye Name: 12-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-12-oxo-dodecanoic acid CAS Name: 12-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy]-12-oxododecanoic acid IUPAC Name: 12-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-12-oxododecanoic acid Traditional Name: 12-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-12-keto-lauric acid Formula: C21H33N3O7 MolecularWeight: 439.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCC(=O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C21H33N3O7/c22-17-11-12-24(21(29)23-17)18-13-15(25)16(31-18)14-30-20(28)10-8-6-4-2-1-3-5-7-9-19(26)27/h11-12,15-16,18,25H,1-10,13-14H2,(H,26,27)(H2,22,23,29)/t15-,16+,18+/m0/s1