NSC60891

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Creator
US National Cancer Institute
Publication Date
2005-08-23
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
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Citation
Unknown author (2005). NSC60891. [chemical structure]. http://www.dspace.cam.ac.uk/handle/1810/57504
Identifiers
NSC60891
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/57504
IUPAC Chemical Identifier (IChI): C18H22N6O4S,1H3-12-2H-4H-13(5H-3H-12)29(26,27)23H-11H2-9H2-8H2-10H2-18H(17(25)28H)24H-16-14-15(19-6H-20-16)21-7H-22H-14
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C18H22N6O4S/c1-12-5-7-13(8-6-12)29(27,28)23-9-3-2-4-14(18(25)26)24-17-15-16(20-10-19-15)21-11-22-17/h5-8,10-11,14,23H,2-4,9H2,1H3,(H,25,26)(H2,19,20,21,22,24)/t14-/m0/s1
IUPAC/NIST Chemical Identifier Key (INChI): BQQDZMNYRYWWEG-AWEZNQCLSA-N
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