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4-Amino-2-[4-amidinoamino-1-(4-nitrobenzyloxycarbonylamino)butyl]-6-dimethylamino-1,3,5-triazine
SpectraBase Compound ID DBoku9lsKXu
InChI InChI=1S/C18H26N10O4/c1-27(2)17-25-14(24-16(21)26-17)13(4-3-9-22-15(19)20)23-18(29)32-10-11-5-7-12(8-6-11)28(30)31/h5-8,13H,3-4,9-10H2,1-2H3,(H,23,29)(H4,19,20,22)(H2,21,24,25,26)
InChIKey CAAQTPFNZMUOEW-UHFFFAOYSA-N
Mol Weight 446.47 g/mol
Molecular Formula C18H26N10O4
Exact Mass 446.213849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2yY6mCkKGU
Name 4-Amino-2-[4-amidinoamino-1-(4-nitrobenzyloxycarbonylamino)butyl]-6-dimethylamino-1,3,5-triazine
Alternate Name(s) 4-Nitrobenzyl 1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-{[amino(imino)methyl]amino}butylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N10O4
InChI InChI=1S/C18H26N10O4/c1-27(2)17-25-14(24-16(21)26-17)13(4-3-9-22-15(19)20)23-18(29)32-10-11-5-7-12(8-6-11)28(30)31/h5-8,13H,3-4,9-10H2,1-2H3,(H,23,29)(H4,19,20,22)(H2,21,24,25,26)
InChIKey CAAQTPFNZMUOEW-UHFFFAOYSA-N
Molecular Weight 446.472 g/mol
SMILES N(C(=O)OCc1ccc(N(=O)=O)cc1)C(CCCNC(=N)N)c1nc(N)nc(n1)N(C)C
SPLASH splash10-002f-9100000000-c3fb7f115241594155f6
Source of Spectrum O-13-6-1
Wiley ID 1386469