2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(4-methylanilino)-3H-purin-6-one

SpectraBase Compound ID	GyYX2iv5GwW
InChI	InChI=1S/C17H20N6O4/c1-8-2-4-9(5-3-8)19-17-20-13-14(21-16(18)22-15(13)26)23(17)12-6-10(25)11(7-24)27-12/h2-5,10-12,24-25H,6-7H2,1H3,(H,19,20)(H3,18,21,22,26)/t10-,11+,12+/m0/s1
InChIKey	SHOPSBOWUOUXGM-QJPTWQEYSA-N Google Search
Mol Weight	372.38 g/mol
Molecular Formula	C17H20N6O4
Exact Mass	372.154603 g/mol

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SpectraBase Spectrum ID	DcwFys8CrKY
Name	2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(4-methylanilino)-3H-purin-6-one
CAS Registry Number	126788-73-6
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20N6O4
InChI	InChI=1S/C17H20N6O4/c1-8-2-4-9(5-3-8)19-17-20-13-14(21-16(18)22-15(13)26)23(17)12-6-10(25)11(7-24)27-12/h2-5,10-12,24-25H,6-7H2,1H3,(H,19,20)(H3,18,21,22,26)/t10-,11+,12+/m0/s1
InChIKey	SHOPSBOWUOUXGM-QJPTWQEYSA-N
Molecular Weight	372.385 g/mol
SMILES	N(c1nc2c([n]1[C@]1(C[C@@]([C@](O1)(CO)[H])(O)[H])[H])N=C(NC2=O)N)c1ccc(cc1)C
SPLASH	splash10-0a4i-0290000000-64618a609d7e2faf785b
Source of Spectrum	K-123-1703-17
Synonyms	2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylanilino)-3H-purin-6-one 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(4-methylanilino)-3H-purin-6-one 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-(p-toluidino)-3H-purin-6-one 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-[(4-methylphenyl)amino]-3H-purin-6-one
Wiley ID	1355271