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Substance Name: 5,8-Quinazolinedione, 4,4'-(1,7-heptanediyldiiminobis(6,7-bis(1-aziridinyl)-
RN: 120075-44-7
InChIKey: NCTHHJRIJGFPTG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C31-H34-N10-O4

Molecular Weight

  • 610.676
 
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Names and Synonyms

Synonyms

  • 4,4'-(1,7-Diaminoheptamethylene)bis(6,7-bis(1-aziridinyl)-5,8-quinazolinedione)
  • BRN 5699426
  • R54

Systematic Name

  • 5,8-Quinazolinedione, 4,4'-(1,7-heptanediyldiiminobis(6,7-bis(1-aziridinyl)-

Registry Numbers

CAS Registry Number

  • 120075-44-7

System Generated Number

  • 0120075447

Structure Descriptors

InChI

1S/C31H34N10O4/c42-26-18-20(28(44)24(40-12-13-40)22(26)38-8-9-38)34-16-36-30(18)32-6-4-2-1-3-5-7-33-31-19-21(35-17-37-31)29(45)25(41-14-15-41)23(27(19)43)39-10-11-39/h16-17H,1-15H2,(H,32,34,36)(H,33,35,37)

InChIKey

NCTHHJRIJGFPTG-UHFFFAOYSA-N

Smiles

c1(NCCCCCCCNc2c3C(C(=C(C(c3ncn2)=O)N2CC2)N2CC2)=O)c2c(C(C(=C(C2=O)N2CC2)N2CC2)=O)ncn1