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p-[N-(2,4-Diamino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-ylmethyl)-N-methylamino]benzoic acid
SpectraBase Compound ID K7k2h9QFv5j
InChI InChI=1S/C16H18N6O3/c1-22(10-4-2-8(3-5-10)15(24)25)7-9-6-11-12(17)19-16(18)21-13(11)20-14(9)23/h2-5,9H,6-7H2,1H3,(H,24,25)(H5,17,18,19,20,21,23)
InChIKey PXYXJFDCKWIVKV-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C16H18N6O3
Exact Mass 342.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1oLIbBmzJI
Name p-[N-(2,4-Diamino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-ylmethyl)-N-methylamino]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N6O3
InChI InChI=1S/C16H18N6O3/c1-22(10-4-2-8(3-5-10)15(24)25)7-9-6-11-12(17)19-16(18)21-13(11)20-14(9)23/h2-5,9H,6-7H2,1H3,(H,24,25)(H5,17,18,19,20,21,23)
InChIKey PXYXJFDCKWIVKV-UHFFFAOYSA-N
Molecular Weight 342.359 g/mol
SMILES Nc1nc(nc2c1CC(CN(c1ccc(C(=O)O)cc1)C)C(N2)=O)N
SPLASH splash10-0ue9-0900000000-3ffec829f639c4add184
Source of Spectrum F2-41-3544-14
Synonyms 4-[[(2,4-diamino-7-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)methyl](methyl)amino]benzoic acid 4-[(2,4-diamino-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methyl-methylamino]benzoic acid 4-[(2,4-diamino-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methyl-methyl-amino]benzoic acid 4-[[2,4-bis(azanyl)-7-oxidanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl]methyl-methyl-amino]benzoic acid
Wiley ID 1599730