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Substance Name: 3'-Thymidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'.5')-, 4-chlorophenyl 2-cyanoethyl ester
RN: 67221-73-2
InChIKey: NFARHVUBIFPVNZ-WHUCBNPSSA-N

Molecular Formula

  • C62-H58-Cl2-N6-O17-P2

Molecular Weight

  • 1292.0192
 
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Names and Synonyms

Synonym

  • EINECS 266-611-1

Systematic Name

  • 3'-Thymidylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)-2'-deoxycytidylyl-(3'.5')-, 4-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 67221-73-2

System Generated Number

  • 0067221732

Structure Descriptors

InChI

1S/C62H58Cl2N6O17P2/c1-40-37-70(61(74)68-58(40)71)57-36-52(86-88(75,80-34-10-32-65)84-49-27-19-45(63)20-28-49)54(83-57)39-81-89(76,85-50-29-21-46(64)22-30-50)87-51-35-56(69-33-31-55(67-60(69)73)66-59(72)41-11-6-4-7-12-41)82-53(51)38-79-62(42-13-8-5-9-14-42,43-15-23-47(77-2)24-16-43)44-17-25-48(78-3)26-18-44/h4-9,11-31,33,37,51-54,56-57H,10,34-36,38-39H2,1-3H3,(H,68,71,74)(H,66,67,72,73)/t51-,52-,53+,54+,56+,57+,88?,89?/m0/s1

InChIKey

NFARHVUBIFPVNZ-WHUCBNPSSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(Oc3ccc(cc3)Cl)O[C@H]4C[C@@H](O[C@@H]4COC(c5ccccc5)(c6ccc(cc6)OC)c7ccc(cc7)OC)n8ccc(nc8=O)NC(=O)c9ccccc9)OP(=O)(OCCC#N)Oc1ccc(cc1)Cl