4-[methyl-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methyl]amino]benzoic acid

Systemtic Name: 4-[methyl-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methyl]amino]benzoic acid Openeye Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzoic acid CAS Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzoic acid IUPAC Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]benzoic acid Traditional Name: 4-[[4-keto-2-(methylamino)-1H-pteridin-6-yl]methyl-methyl-amino]benzoic acid Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C2=NC(=CN=C2N1)CN(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CNC1=NC(=O)C2=NC(=CN=C2N1)CN(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N6O3/c1-17-16-20-13-12(14(23)21-16)19-10(7-18-13)8-22(2)11-5-3-9(4-6-11)15(24)25/h3-7H,8H2,1-2H3,(H,24,25)(H2,17,18,20,21,23)