2-methylpropyl 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(cyclopentylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-13(2)11-29-20(26)14-7-9-16(10-8-14)24-19-17(25(27)28)18(21-12-22-19)23-15-5-3-4-6-15/h7-10,12-13,15H,3-6,11H2,1-2H3,(H2,21,22,23,24)