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4-[(2,4-diamino-7-keto-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoic acid methyl ester
SpectraBase Compound ID 8dE7wy43U8F
InChI InChI=1S/C16H18N6O3/c1-25-15(24)8-2-4-10(5-3-8)19-7-9-6-11-12(17)20-16(18)22-13(11)21-14(9)23/h2-5,9,19H,6-7H2,1H3,(H5,17,18,20,21,22,23)
InChIKey IKJCRACCUBBQQF-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 AEIOl8D3j6I
Name 4-[(2,4-diamino-7-keto-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N6O3
InChI InChI=1S/C16H18N6O3/c1-25-15(24)8-2-4-10(5-3-8)19-7-9-6-11-12(17)20-16(18)22-13(11)21-14(9)23/h2-5,9,19H,6-7H2,1H3,(H5,17,18,20,21,22,23)
InChIKey IKJCRACCUBBQQF-UHFFFAOYSA-N
Molecular Weight 342.359 g/mol
SMILES N(c1ccc(C(=O)OC)cc1)CC1Cc2c(nc(nc2NC1=O)N)N
SPLASH splash10-0006-0901000000-14ceb32e1ae4224c337c
Source of Spectrum F2-41-3543-13
Synonyms 4-[(2,4-diamino-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoic acid methyl ester Methyl 4-[(2,4-diamino-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoate Methyl 4-[[2,4-bis(azanyl)-7-oxidanylidene-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-yl]methylamino]benzoate
Wiley ID 1599731