4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate

Systemtic Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate Openeye Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-4-pyrimidinyl]amino]butyl ester IUPAC Name: 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitropyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[[6-[2-(1H-imidazol-2-yl)ethyl]-5-nitro-pyrimidin-4-yl]amino]butyl ester Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])CCC2=NC=CN2

Isomeric SMILES

CC(C)(C)C(=O)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])CCC2=NC=CN2

InChI

InChI=1S/C18H26N6O4/c1-18(2,3)17(25)28-11-5-4-8-21-16-15(24(26)27)13(22-12-23-16)6-7-14-19-9-10-20-14/h9-10,12H,4-8,11H2,1-3H3,(H,19,20)(H,21,22,23)