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

Systemtic Name: 4-[[6-(cyclopropylamino)-5-nitro-pyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate Openeye Name: 4-[[6-(cyclopropylamino)-5-nitro-pyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-[[6-(cyclopropylamino)-5-nitro-4-pyrimidinyl]amino]butyl ester IUPAC Name: 4-[[6-(cyclopropylamino)-5-nitropyrimidin-4-yl]amino]butyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[[6-(cyclopropylamino)-5-nitro-pyrimidin-4-yl]amino]butyl ester Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2CC2

Isomeric SMILES

CC(C)(C)C(=O)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2CC2

InChI

InChI=1S/C16H25N5O4/c1-16(2,3)15(22)25-9-5-4-8-17-13-12(21(23)24)14(19-10-18-13)20-11-6-7-11/h10-11H,4-9H2,1-3H3,(H2,17,18,19,20)