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Substance Name: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-phosphonobutanoic acid
RN: 106351-99-9
InChIKey: DIKMWUBVYMCSJH-UHFFFAOYSA-N

Molecular Formula

  • C18-H21-N8-O6-P

Molecular Weight

  • 476.3879
 
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Names and Synonyms

  • 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)amino)phenyl)carbonylamino)-4-phosphonobutanoic acid

Registry Numbers

CAS Registry Number

  • 106351-99-9

System Generated Number

  • 0106351999

Structure Descriptors

InChI

1S/C18H21N8O6P/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H2,30,31,32)(H4,19,20,22,25,26)

InChIKey

DIKMWUBVYMCSJH-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)NC(CCP(=O)(O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N