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4(1H)-Pteridinone, 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-, [S-(R*,S*)]-
SpectraBase Compound ID 6Zmy4eN0SGN
InChI InChI=1S/C12H15N5O4/c1-12(2)3-6(20-21-12)8(18)5-4-14-9-7(15-5)10(19)17-11(13)16-9/h4,6,8,18H,3H2,1-2H3,(H3,13,14,16,17,19)
InChIKey PAWQDYAVDBCEKB-UHFFFAOYSA-N
Mol Weight 293.28 g/mol
Molecular Formula C12H15N5O4
Exact Mass 293.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bnl0tB8rz3P
Name 4(1H)-Pteridinone, 2-amino-6-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-, [S-(R*,S*)]-
CAS Registry Number 113001-89-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N5O4
InChI InChI=1S/C12H15N5O4/c1-12(2)3-6(20-21-12)8(18)5-4-14-9-7(15-5)10(19)17-11(13)16-9/h4,6,8,18H,3H2,1-2H3,(H3,13,14,16,17,19)
InChIKey PAWQDYAVDBCEKB-UHFFFAOYSA-N
Molecular Weight 293.283 g/mol
SMILES OC(c1nc2c(N=C(NC2=O)N)nc1)C1OOC(C1)(C)C
SPLASH splash10-0006-0900000000-e4693e8f092be07e80c5
Source of Spectrum H-70-768-4
Synonyms 2-Amino-6-(1'-hydroxy-2',3'-isopropylidenedioxypropyl)pteridin-4(3H)-one 2-Amino-6-[(5,5-dimethyl-1,2-dioxolan-3-yl)(hydroxy)methyl]-4(3H)-pteridinone
Wiley ID 1296152