(2,4-dinitrophenyl) 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-benzoate

Systemtic Name: (2,4-dinitrophenyl) 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]-2-methyl-benzoate Openeye Name: (2,4-dinitrophenyl) 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methyl-benzoate CAS Name: 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylbenzoic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2-methylbenzoate Traditional Name: 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]-2-methyl-benzoic acid (2,4-dinitrophenyl) ester Formula: C21H16N8O7 MolecularWeight: 492.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)C(=O)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N8O7/c1-10-6-11(23-8-12-9-24-18-17(25-12)19(30)27-21(22)26-18)2-4-14(10)20(31)36-16-5-3-13(28(32)33)7-15(16)29(34)35/h2-7,9,23H,8H2,1H3,(H3,22,24,26,27,30)