2-[(1R,2R,3S,4S)-4-but-3-enyl-3-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-2-oxidanyl-cyclopentyl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(1R,2R,3S,4S)-4-but-3-enyl-3-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-2-oxidanyl-cyclopentyl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(1R,2R,3S,4S)-4-but-3-enyl-3-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-2-hydroxy-cyclopentyl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(1R,2R,3S,4S)-4-but-3-enyl-3-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-2-hydroxycyclopentyl]ethyl ester IUPAC Name: 2-[(1R,2R,3S,4S)-4-but-3-enyl-3-(2,6-dimethyl-5-nitropyrimidin-4-yl)oxy-2-hydroxycyclopentyl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(1R,2R,3S,4S)-4-but-3-enyl-3-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-2-hydroxy-cyclopentyl]ethyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)OC2C(CC(C2O)CCOC(=O)C(C)(C)C)CCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)O[C@H]2[C@H](C[C@@H]([C@H]2O)CCOC(=O)C(C)(C)C)CCC=C)[N+](=O)[O-]

InChI

InChI=1S/C22H33N3O6/c1-7-8-9-16-12-15(10-11-30-21(27)22(4,5)6)18(26)19(16)31-20-17(25(28)29)13(2)23-14(3)24-20/h7,15-16,18-19,26H,1,8-12H2,2-6H3/t15-,16-,18+,19-/m0/s1