1-[4-hexanoyl-4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-heptyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[4-hexanoyl-4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-heptyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[4-hexanoyl-4-hydroxy-5-(1-hydroxy-2-oxo-heptyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 1-[4-hydroxy-5-(1-hydroxy-2-oxoheptyl)-4-(1-oxohexyl)-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 1-[4-hexanoyl-4-hydroxy-5-(1-hydroxy-2-oxoheptyl)oxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[4-caproyl-4-hydroxy-5-(1-hydroxy-2-keto-heptyl)tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C1C(CC(O1)N2C=CC(=O)NC2=O)(C(=O)CCCCC)O)O

Isomeric SMILES

CCCCCC(=O)C(C1C(CC(O1)N2C=CC(=O)NC2=O)(C(=O)CCCCC)O)O

InChI

InChI=1S/C21H32N2O7/c1-3-5-7-9-14(24)18(27)19-21(29,15(25)10-8-6-4-2)13-17(30-19)23-12-11-16(26)22-20(23)28/h11-12,17-19,27,29H,3-10,13H2,1-2H3,(H,22,26,28)