4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]butyl 2,2-dimethylpropanoate

Systemtic Name: 4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]butyl 2,2-dimethylpropanoate Openeye Name: 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]butyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-[(6-chloro-5-nitro-4-pyrimidinyl)amino]butyl ester IUPAC Name: 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]butyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]butyl ester Formula: C13H19ClN4O4 MolecularWeight: 330.76736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H19ClN4O4/c1-13(2,3)12(19)22-7-5-4-6-15-11-9(18(20)21)10(14)16-8-17-11/h8H,4-7H2,1-3H3,(H,15,16,17)