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Substance Name: N(10)-(Cyanomethyl)-5,8-dideazafolic acid
RN: 80015-09-4
InChIKey: DYXZEOJTRVEJOX-SFHVURJKSA-N

Molecular Formula

  • C23-H22-N6-O6

Molecular Weight

  • 478.463
 
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Names and Synonyms

Name of Substance

  • N(10)-(Cyanomethyl)-5,8-dideazafolic acid

Synonym

  • 5,8-Dideaza-N(10)-cyanomethylfolic acid

Systematic Name

  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)(cyanomethyl)amino)bezoyl)-

Registry Numbers

CAS Registry Number

  • 80015-09-4

System Generated Number

  • 0080015094

Structure Descriptors

InChI

1S/C23H22N6O6/c24-9-10-29(12-13-1-6-17-16(11-13)21(33)28-23(25)27-17)15-4-2-14(3-5-15)20(32)26-18(22(34)35)7-8-19(30)31/h1-6,11,18H,7-8,10,12H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t18-/m0/s1

InChIKey

DYXZEOJTRVEJOX-SFHVURJKSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(CC#N)Cc1cc2c(nc([nH]c2cc1)N)=O)=O)CCC(=O)O)(=O)O