butyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: butyl 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: butyl 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoic acid butyl ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C15H17N5O4/c1-2-3-8-24-15(21)10-4-6-11(7-5-10)19-14-12(20(22)23)13(16)17-9-18-14/h4-7,9H,2-3,8H2,1H3,(H3,16,17,18,19)