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3-Amino-6-[[2'(R)-(benzylamino)-3'-hydroxypropyl]amino]-5-nitro-4(3H)-pyrimidinone

View entire compound with spectra: 1 MS (GC)

3-Amino-6-[[2'(R)-(benzylamino)-3'-hydroxypropyl]amino]-5-nitro-4(3H)-pyrimidinone
SpectraBase Compound ID KA8Sm4WEtdv
InChI InChI=1S/C14H18N6O4/c15-19-9-18-13(12(14(19)22)20(23)24)17-7-11(8-21)16-6-10-4-2-1-3-5-10/h1-5,9,11,16-17,21H,6-8,15H2/t11-/m1/s1
InChIKey RWSGPDUNEDZYSR-LLVKDONJSA-N
Mol Weight 334.34 g/mol
Molecular Formula C14H18N6O4
Exact Mass 334.138953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PV0UPhb0rE
Name 3-Amino-6-[[2'(R)-(benzylamino)-3'-hydroxypropyl]amino]-5-nitro-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N6O4
InChI InChI=1S/C14H18N6O4/c15-19-9-18-13(12(14(19)22)20(23)24)17-7-11(8-21)16-6-10-4-2-1-3-5-10/h1-5,9,11,16-17,21H,6-8,15H2/t11-/m1/s1
InChIKey RWSGPDUNEDZYSR-LLVKDONJSA-N
Molecular Weight 334.336 g/mol
SMILES NN1C(C(=C(N=C1)NC[C@](CO)(NCc1ccccc1)[H])N(=O)=O)=O
SPLASH splash10-0f6x-9700000000-51bd2b46910ef8706ccd
Source of Spectrum J-57-4475-18
Synonyms 3-Amino-6-{[(2R)-2-(benzylamino)-3-hydroxypropyl]amino}-5-nitro-4(3H)-pyrimidinone
Wiley ID 1330619