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Substance Name: 2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-phosphonobutanoic acid
RN: 106351-98-8
InChIKey: WSHCJNSZXLKWSM-UHFFFAOYSA-N

Molecular Formula

  • C19-H23-N8-O6-P

Molecular Weight

  • 490.4147
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 106351-98-8

System Generated Number

  • 0106351988

Structure Descriptors

InChI

1S/C19H23N8O6P/c1-27(9-11-8-22-16-14(23-11)15(20)25-19(21)26-16)12-4-2-10(3-5-12)17(28)24-13(18(29)30)6-7-34(31,32)33/h2-5,8,13H,6-7,9H2,1H3,(H,24,28)(H,29,30)(H2,31,32,33)(H4,20,21,22,25,26)

InChIKey

WSHCJNSZXLKWSM-UHFFFAOYSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCP(=O)(O)O)C(=O)O