MF: C30H31ClN14O4
MW: 687.1g/mol
IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid;hydrochloride
Isomeric SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O.CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O.Cl
InChIKey: WWFYKUISNIJHNQ-UHFFFAOYSA-N
InChI: InChI=1S/2C15H15N7O2.ClH/c2*1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13;/h2*2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21);1H
