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Pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidine-2,4(1H,3H)-dithione, 6,8-diphenyl-
SpectraBase Compound ID 4AdDDTMy31r
InChI InChI=1S/C21H14N4S2/c26-20-18-17-12-15(13-7-3-1-4-8-13)11-16(14-9-5-2-6-10-14)25(17)24-19(18)22-21(27)23-20/h1-12H,(H2,22,23,24,26,27)
InChIKey KACYSXYJFRXUCN-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C21H14N4S2
Exact Mass 386.065989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81UNQpCFgix
Name Pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidine-2,4(1H,3H)-dithione, 6,8-diphenyl-
Alternate Name(s) 6,8-Diphenylpyrido[2',1':5,1]pyrazolo[3,4-d]pyrimidine-2,4(1H,3H)-dithione 7,9-Diphenyl-1,2,3,4-tetrahydropyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidine-1,3-dithione
CAS Registry Number 93031-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N4S2
InChI InChI=1S/C21H14N4S2/c26-20-18-17-12-15(13-7-3-1-4-8-13)11-16(14-9-5-2-6-10-14)25(17)24-19(18)22-21(27)23-20/h1-12H,(H2,22,23,24,26,27)
InChIKey KACYSXYJFRXUCN-UHFFFAOYSA-N
Molecular Weight 386.491 g/mol
SMILES N1C(Nc2n[n]3c(c2C1=S)C=C(C=C3c1ccccc1)c1ccccc1)=S
SPLASH splash10-0udr-0009000000-96be20e296b08d05e0fe
Source of Spectrum Y-21-687-0
Wiley ID 1362586