2-([6-AMINO-9-(2-PHENOXYETHYL)-9H-PURIN-8-YL]THIO)PROPANOIC ACID

CAS No.
499114-53-3
CCD No.
CCD00370748
Formula
C16 H17 N5 O3 S
MolWeight
359.408

Basic Information

Product Name: 2-([6-AMINO-9-(2-PHENOXYETHYL)-9H-PURIN-8-YL]THIO)PROPANOIC ACID
CAS: 499114-53-3
English Synonyms: 2-([6-AMINO-9-(2-PHENOXYETHYL)-9H-PURIN-8-YL]THIO)PROPANOIC ACID
MDL Number.: MFCD03272461
H bond acceptor: 8
H bond donor: 2
Smile: CC(C(=O)O)Sc1nc2c(ncnc2n1CCOc3ccccc3)N
InChi: InChI=1S/C16H17N5O3S/c1-10(15(22)23)25-16-20-12-13(17)18-9-19-14(12)21(16)7-8-24-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,22,23)(H2,17,18,19)
InChiKey: InChIKey=GXEIYUHVXBSEDP-UHFFFAOYSA-N

Property

Comments: WARNINGS: IRRITANT

Safety information

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