(4-nitrophenyl) 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methanoyl-amino]benzoate

Systemtic Name: (4-nitrophenyl) 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methanoyl-amino]benzoate Openeye Name: (4-nitrophenyl) 4-[(2,4-diaminopteridin-6-yl)methyl-formyl-amino]benzoate CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-formylamino]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(2,4-diaminopteridin-6-yl)methyl-formylamino]benzoate Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-formyl-amino]benzoic acid (4-nitrophenyl) ester Formula: C21H16N8O5 MolecularWeight: 460.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N(CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=O

InChI

InChI=1S/C21H16N8O5/c22-18-17-19(27-21(23)26-18)24-9-13(25-17)10-28(11-30)14-3-1-12(2-4-14)20(31)34-16-7-5-15(6-8-16)29(32)33/h1-9,11H,10H2,(H4,22,23,24,26,27)