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2(1H)-Pyrimidinethione, 1-[(2,4-dinitrophenyl)amino]-4-(4-methylphenyl)-
SpectraBase Compound ID 8E1f4WnxZhw
InChI InChI=1S/C17H13N5O4S/c1-11-2-4-12(5-3-11)14-8-9-20(17(27)18-14)19-15-7-6-13(21(23)24)10-16(15)22(25)26/h2-10,19H,1H3
InChIKey NUNQDDQJIATZHC-UHFFFAOYSA-N
Mol Weight 383.38 g/mol
Molecular Formula C17H13N5O4S
Exact Mass 383.068825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bwki2p3Na9U
Name 2(1H)-Pyrimidinethione, 1-[(2,4-dinitrophenyl)amino]-4-(4-methylphenyl)-
Alternate Name(s) 1-(2,4-dinitroanilino)-4-(4-methylphenyl)-2(1H)-pyrimidinethione 1-(2,4-Dinitrophenylamino)-4-(p-tolyl)-2-thioxopyrimidine
CAS Registry Number 73076-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N5O4S
InChI InChI=1S/C17H13N5O4S/c1-11-2-4-12(5-3-11)14-8-9-20(17(27)18-14)19-15-7-6-13(21(23)24)10-16(15)22(25)26/h2-10,19H,1H3
InChIKey NUNQDDQJIATZHC-UHFFFAOYSA-N
Molecular Weight 383.382 g/mol
SMILES N(N1C(N=C(C=C1)c1ccc(cc1)C)=S)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-014i-9634000000-b9b581fdedb2c2f20561
Source of Spectrum AH-120-753-2
Wiley ID 1360988