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

Systemtic Name: 2-[(1R,2R,3S,4S)-2-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-3-oxidanyl-4-(3-oxidanylpropyl)cyclopentyl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(1R,2R,3S,4S)-2-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-3-hydroxy-4-(3-hydroxypropyl)cyclopentyl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(1R,2R,3S,4S)-2-[(2,6-dimethyl-5-nitro-4-pyrimidinyl)oxy]-3-hydroxy-4-(3-hydroxypropyl)cyclopentyl]ethyl ester IUPAC Name: 2-[(1R,2R,3S,4S)-2-(2,6-dimethyl-5-nitropyrimidin-4-yl)oxy-3-hydroxy-4-(3-hydroxypropyl)cyclopentyl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(1R,2R,3S,4S)-2-(2,6-dimethyl-5-nitro-pyrimidin-4-yl)oxy-3-hydroxy-4-(3-hydroxypropyl)cyclopentyl]ethyl ester Formula: C21H33N3O7 MolecularWeight: 439.50262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O7/c1-12-16(24(28)29)19(23-13(2)22-12)31-18-15(8-10-30-20(27)21(3,4)5)11-14(17(18)26)7-6-9-25/h14-15,17-18,25-26H,6-11H2,1-5H3/t14-,15-,17-,18+/m0/s1