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Substance Name: 3'-Thymidylic acid, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'.5')-, 4-chlorophenyl 2-cyanoethyl ester
RN: 65062-67-1
InChIKey: GJCKWJASTSGWJO-MMIZWXEOSA-N

Molecular Formula

  • C56-H55-Cl2-N5-O17-P2

Molecular Weight

  • 1202.9225
 
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Names and Synonyms

Synonym

  • EINECS 265-361-0

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65062-67-1

System Generated Number

  • 0065062671

Structure Descriptors

InChI

1S/C56H55Cl2N5O17P2/c1-34-30-62(54(66)60-52(34)64)50-28-46(79-81(68,69)78-45-25-18-41(58)27-36(45)9-8-26-59)49(76-50)33-74-82(70,77-44-23-16-40(57)17-24-44)80-47-29-51(63-31-35(2)53(65)61-55(63)67)75-48(47)32-73-56(37-10-6-5-7-11-37,38-12-19-42(71-3)20-13-38)39-14-21-43(72-4)22-15-39/h5-7,10-25,27,30-31,46-51H,8-9,28-29,32-33H2,1-4H3,(H,68,69)(H,60,64,66)(H,61,65,67)/t46-,47-,48+,49+,50+,51+,82?/m0/s1

InChIKey

GJCKWJASTSGWJO-MMIZWXEOSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)OP(=O)(OC[C@@H]6[C@H](C[C@@H](O6)n7cc(c(=O)[nH]c7=O)C)OP(=O)(O)Oc8ccc(cc8CCC#N)Cl)Oc9ccc(cc9)Cl