4-[[2,4-bis(azanyl)-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoic acid CAS Name: 4-[[2,4-diamino-7-(methylamino)-6-pteridinyl]methyl-methylamino]benzoic acid IUPAC Name: 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methylamino]benzoic acid Traditional Name: 4-[[2,4-diamino-7-(methylamino)pteridin-6-yl]methyl-methyl-amino]benzoic acid Formula: C16H18N8O2 MolecularWeight: 354.36652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=NC(=N2)N)N)N=C1CN(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CNC1=NC2=C(C(=NC(=N2)N)N)N=C1CN(C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H18N8O2/c1-19-13-10(20-11-12(17)21-16(18)23-14(11)22-13)7-24(2)9-5-3-8(4-6-9)15(25)26/h3-6H,7H2,1-2H3,(H,25,26)(H5,17,18,19,21,22,23)