2-[[4-azanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]amino]ethanoate

Systemtic Name: 2-[[4-azanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-(benzylamino)-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C13H13N6O4- MolecularWeight: 317.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-]

InChI

InChI=1S/C13H14N6O4/c14-11-10(19(22)23)12(15-6-8-4-2-1-3-5-8)18-13(17-11)16-7-9(20)21/h1-5H,6-7H2,(H,20,21)(H4,14,15,16,17,18)/p-1