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6-Amino-3,6-dihydro-3-phenyl-5-[(p-chlorophenyl)amino]-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 4K7F4bUurRQ
InChI InChI=1S/C16H12ClN7O/c17-10-6-8-11(9-7-10)19-16-20-14-13(15(25)23(16)18)21-22-24(14)12-4-2-1-3-5-12/h1-9H,18H2,(H,19,20)
InChIKey YBGMULFMSPZGSD-UHFFFAOYSA-N
Mol Weight 353.77 g/mol
Molecular Formula C16H12ClN7O
Exact Mass 353.079186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92tuh9eZUoG
Name 6-Amino-3,6-dihydro-3-phenyl-5-[(p-chlorophenyl)amino]-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN7O
InChI InChI=1S/C16H12ClN7O/c17-10-6-8-11(9-7-10)19-16-20-14-13(15(25)23(16)18)21-22-24(14)12-4-2-1-3-5-12/h1-9H,18H2,(H,19,20)
InChIKey YBGMULFMSPZGSD-UHFFFAOYSA-N
Molecular Weight 353.773 g/mol
SMILES N(C=1N(C(c2c(N1)[n](nn2)-c1ccccc1)=O)N)c1ccc(cc1)Cl
SPLASH splash10-004i-9208000000-afc409d672dc26c1bfdb
Source of Spectrum F5-4-132-5b
Synonyms 6-Amino-5-((4-chlorophenyl)amino)-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one 6-Amino-5-(4-chloroanilino)-3-phenyl-7-triazolo[4,5-d]pyrimidinone 6-Amino-5-(4-chloroanilino)-3-phenyltriazolo[4,5-d]pyrimidin-7-one 6-Azanyl-5-[(4-chlorophenyl)amino]-3-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Wiley ID 1732643