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Home> Encyclopedia > Hot Product Listed 6   > 6H-Pyrrolo[2,3-d]pyrimidin-6-one,5,7-dihydro-2-methyl-
866134-37-4 structure

6H-Pyrrolo[2,3-d]pyrimidin-6-one,5,7-dihydro-2-methyl-

Iupac Name:N-[(3-chlorophenyl)methyl]-6-ethylsulfonyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CAS No.:866134-37-4
Molecular Weight:472.955
Molecular Formula:C9H14O (isomer)
Names and Identifiers
Synonyms

2-methyl-1,5-dihydro-6h-pyrrolo[2,3-d]pyrimidin-6-one 2-methyl-1h-pyrrolo[2,3-d]pyrimidin-6(5h)-one 2-methyl-5h-pyrrolo[2,3-d]pyrimidin-6(7h)-one 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro-2-methyl- (6CI,9CI) 6-methyl-5,7-diazaoxindole AK434672 AKOS022717602 AKOS027395891 FRUNDADHVMDNAW-UHFFFAOYSA-N HE300284 KB-285190 SCHEMBL4044760 ZINC82408694

Inchi
InChI=1S/C19H21ClN2O6S2/c1-3-30(26,27)15-7-8-17-16(10-15)22(29(2,24)25)12-18(28-17)19(23)21-11-13-5-4-6-14(20)9-13/h4-10,18H,3,11-12H2,1-2H3,(H,21,23)
InChkey
ALEYPOHUUFEQHN-UHFFFAOYSA-N
Canonical Smiles
CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCC3=CC(=CC=C3)Cl
Computational chemical data
  • Molecular Weight:472.955g/mol
  • Molecular Formula:C9H14O
  • Compound Is Canonicalized:True
  • Exact Mass:472.053
  • Monoisotopic Mass:472.053
  • Complexity:823
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:127A^2
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OABkAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgYQQAAADB7l2Cayx4LABAqI AiVSUHLCCAAhLxAIiJlPbogOJirl85+HOCzk1hH46AeQwAAOAIAAICAAEAABAABAQAAgAAAAAAAA AA==
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